 Entering Gaussian System, Link 0=g16
 Input=26_junionone_conformer16_STD_B3LYPDBJ_def2SVPD.in
 Output=26_junionone_conformer16_STD_B3LYPDBJ_def2SVPD.log
 AtFile(1): /user/pierpa/basis_sets/def2SVPD.gbs
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                  0.28148150384D-01      1.0000000
            D    4   1.00
                 19.240334928            0.27039082144D-01
                  5.1178995899           0.13803684743
                  1.6554278827           0.34869086403
                  0.54016355610          0.48594185717
            D    1   1.00
                  0.16211214518           .34374449689
            F    1   1.00
                  0.3450000              1.0000000
            ****
            -Ti     0
            S    6   1.00
              42961.5121850              0.39127635355D-02
               6450.9759169              0.29969820489D-01
               1467.7210915              0.14836352707
                414.20997355             0.51347285324
                134.48715840             1.0335365483
                 46.122209796            0.77854233930
            S    3   1.00
                 89.447762543           -0.28385401259
                 10.223346060            1.6772785333
                  4.1353774271           1.2411928456
            S    3   1.00
                  6.7896181452          -0.78399994518D-02
                  1.1106730691           0.25495493019D-01
                  0.47565975578          0.16061172892D-01
            S    1   1.00
                  0.65986956934D-01      1.0000000
            S    1   1.00
                  0.25210342250D-01      1.0000000
            P    5   1.00
                522.03684782             0.19754179642D-01
                122.68649489             0.14460677619
                 38.572903611            0.54669004165
                 13.672169319            1.0531647540
                  5.0118529359           0.69111213363
            P    3   1.00
                  2.4131928282           0.75803437136
                  0.93252270050          1.3036241399
                  0.35429058390          0.53638653300
            P    1   1.00
                  0.1015610              1.0000000
            P    1   1.00
                  0.35788253200D-01      1.0000000
            D    4   1.00
                 23.465125957            0.26536380115D-01
                  6.3332593832           0.13796453963
                  2.0766489946           0.35312644228
                  0.69027361954          0.48647124166
            D    1   1.00
                  0.21088738554           .33026314258
            F    1   1.00
                  0.5620000              1.0000000
            ****
            -V     0
            S    6   1.00
              47160.3760600              0.14498688908D-02
               7081.4110871              0.11106435251D-01
               1611.1621223              0.55005423585D-01
                454.72940551             0.19060252591
                147.71321208             0.38435022957
                 50.699538950            0.29095546792
            S    3   1.00
                 98.262492669           -0.10942337856
                 11.294293099            0.64539490399
                  4.5853360105           0.47117880777
            S    3   1.00
                  7.6359689588          -0.22454949054
                  1.2539836689           0.72594852764
                  0.53271935387          0.45560582748
            S    1   1.00
                  0.72246239566D-01      1.0000000
            S    1   1.00
                  0.27358087448D-01      1.0000000
            P    5   1.00
                580.55044988             0.97315110917D-02
                136.52341127             0.71531241137D-01
                 42.983958820            0.27197688414
                 15.282798763            0.52618988893
                  5.6202495154           0.34452533498
            P    3   1.00
                  2.7485386415           0.34040396496
                  1.0618550073           0.57983996120
                  0.40235518645          0.23911643083
            P    1   1.00
                  0.1112480              1.0000000
            P    1   1.00
                  0.35000888460D-01      1.0000000
            D    4   1.00
                 27.358434017            0.26641927050D-01
                  7.4540604253           0.13995311726
                  2.4633917847           0.35751066639
                  0.82480925277          0.48488354148
            D    1   1.00
                  0.25257904742           .32332844995
            F    1   1.00
                  0.8310000              1.0000000
            ****
            -Cr     0
            S    6   1.00
              51528.0863490              0.14405823106D-02
               7737.2103487              0.11036202287D-01
               1760.3748470              0.54676651806D-01
                496.87706544             0.18965038103
                161.46520598             0.38295412850
                 55.466352268            0.29090050668
            S    3   1.00
                107.54732999            -0.10932281100
                 12.408671897            0.64472599471
                  5.0423628826           0.46262712560
            S    3   1.00
                  8.5461640165          -0.22711013286
                  1.3900441221           0.73301527591
                  0.56066602876          0.44225565433
            S    1   1.00
                  0.71483705972D-01      1.0000000
            S    1   1.00
                  0.28250687604D-01      1.0000000
            P    5   1.00
                640.48536096             0.96126715203D-02
                150.69711194             0.70889834655D-01
                 47.503755296            0.27065258990
                 16.934120165            0.52437343414
                  6.2409680590           0.34107994714
            P    3   1.00
                  3.0885463206           0.33973986903
                  1.1791047769           0.57272062927
                  0.43369774432          0.24582728206
            P    1   1.00
                  0.1206750              1.0000000
            P    1   1.00
                  0.33978554488D-01      1.0000000
            D    4   1.00
                 27.559479426            0.30612488044D-01
                  7.4687020327           0.15593270944
                  2.4345903574           0.36984421276
                  0.78244754808          0.47071118077
            D    1   1.00
                  0.21995774311           .33941649889
            F    1   1.00
                  1.1470000              1.0000000
            ****
            -Mn     0
            S    6   1.00
              56137.0090370              0.14321304702D-02
               8429.2063943              0.10972509162D-01
               1917.8277233              0.54382468712D-01
                541.36230198             0.18884335129
                176.00069142             0.38198025054
                 60.500477010            0.29156772596
            S    3   1.00
                117.17282882            -0.10933661328
                 13.596973368            0.64305039431
                  5.5483996341           0.45848970584
            S    3   1.00
                  9.4662853530          -0.22538977259
                  1.5595006070           0.72307758657
                  0.65230205868          0.45300721536
            S    1   1.00
                  0.84003734475D-01      1.0000000
            S    1   1.00
                  0.31256098581D-01      1.0000000
            P    5   1.00
                706.00497535             0.95055518167D-02
                166.19728820             0.70356271142D-01
                 52.452061906            0.27005556982
                 18.746932862            0.52574344602
                  6.9282991622           0.34254033223
            P    3   1.00
                  3.4772204938           0.33994073736
                  1.3406906449           0.57203836254
                  0.50498803038          0.23847605831
            P    1   1.00
                  0.1276500              1.0000000
            P    1   1.00
                  0.36336999053D-01      1.0000000
            D    4   1.00
                 35.423264935            0.26985304111D-01
                  9.7814221451           0.14383458648
                  3.2673488767           0.36418958377
                  1.1026472189           0.48152670661
            D    1   1.00
                  0.33743205934           .31458754360
            F    1   1.00
                  1.3260000              1.0000000
            ****
            -Fe     0
            S    6   1.00
              60923.6406430              0.14302254466D-02
               9147.8893982              0.10958790038D-01
               2081.3505927              0.54332554248D-01
                587.55977067             0.18884995009
                191.09043990             0.38253069946
                 65.732730112            0.29308335984
            S    3   1.00
                127.25891928            -0.10964564925
                 14.830913010            0.64387631332
                  6.0653307408           0.45472347323
            S    3   1.00
                 10.449943710           -0.22539639952
                  1.7245228003           0.72164398156
                  0.71772177325          0.44985492922
            S    1   1.00
                  0.91449828308D-01      1.0000000
            S    1   1.00
                  0.33706691021D-01      1.0000000
            P    5   1.00
                773.43750995             0.94325735144D-02
                182.15149714             0.70029620575D-01
                 57.547272758            0.26993651996
                 20.614988935            0.52700011047
                  7.6348557890           0.34284148028
            P    3   1.00
                  3.8719327990           0.33974402988
                  1.4924724132           0.56842594005
                  0.56061284958          0.23649365839
            P    1   1.00
                  0.1349150              1.0000000
            P    1   1.00
                  0.36933633962D-01      1.0000000
            D    4   1.00
                 38.968133419            0.27879664382D-01
                 10.800067078            0.14858319982
                  3.6136457999           0.36905479496
                  1.2129967888           0.47745100883
            D    1   1.00
                  0.36524393170           .31418142304
            F    1   1.00
                  1.5980000              1.0000000
            ****
            -Co     0
            S    6   1.00
              65902.2082570              0.14284614936D-02
               9895.3896027              0.10946072783D-01
               2251.4305789              0.54285953890D-01
                635.61097084             0.18885179079
                206.78820681             0.38301634994
                 71.179242971            0.29443551266
            S    3   1.00
                137.77268040            -0.10990221736
                 16.118079243            0.64455537395
                  6.6030327710           0.45116787924
            S    3   1.00
                 11.479915788           -0.22593846910
                  1.8956426324           0.72231409008
                  0.78466232067          0.44903812296
            S    1   1.00
                  0.98425774432D-01      1.0000000
            S    1   1.00
                  0.35945741932D-01      1.0000000
            P    5   1.00
                843.64358575             0.93866097254D-02
                198.76386994             0.69880208716D-01
                 62.854963098            0.27037070345
                 22.562842280            0.52904786880
                  8.3713209127           0.34357029579
            P    3   1.00
                  4.2858719800           0.34027999036
                  1.6508041817           0.56693392384
                  0.61834231096          0.23617979783
            P    1   1.00
                  0.1413080              1.0000000
            P    1   1.00
                  0.37744197011D-01      1.0000000
            D    4   1.00
                 42.927867612            0.28487788365D-01
                 11.942533053            0.15206951283
                  4.0046495664           0.37310913999
                  1.3413193804           0.47549837676
            D    1   1.00
                  0.40015009743           .31346831424
            F    1   1.00
                  1.9030000              1.0000000
            ****
            -Ni     0
            S    6   1.00
              71074.8032110              0.14260386729D-02
              10672.0209410              0.10928236994D-01
               2428.1389007              0.54212626938D-01
                685.53595148             0.18874768902
                223.10072863             0.38324616985
                 76.842014042            0.29550637144
            S    3   1.00
                148.71122016            -0.11014443059
                 17.459154987            0.64521426988
                  7.1625280665           0.44797838103
            S    3   1.00
                 12.556137125           -0.22645403224
                  2.0735740488           0.72320959286
                  0.85382640602          0.44868026476
            S    1   1.00
                  0.10536766271          1.0000000
            S    1   1.00
                  0.38134087688D-01      1.0000000
            P    5   1.00
                916.73608662             0.93439635610D-02
                216.06139913             0.69737374902D-01
                 68.383914817            0.27073495012
                 24.593843952            0.53078301549
                  9.1392960204           0.34410229438
            P    3   1.00
                  4.7193371746           0.34076082016
                  1.8161849234           0.56580169611
                  0.67840750720          0.23616717361
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.38905548722D-01      1.0000000
            D    4   1.00
                 47.093832108            0.28982316948D-01
                 13.146463975            0.15494995950
                  4.4170548925           0.37633115111
                  1.4771565078           0.47365096014
            D    1   1.00
                  0.43735921792           .31247837833
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    6   1.00
              76381.3480560              0.14336079896D-02
              11468.7774990              0.10986749865D-01
               2609.4246495              0.54513652465D-01
                736.75033098             0.18990128258
                239.82419958             0.38581959211
                 82.656829252            0.29790607498
            S    3   1.00
                160.13544196            -0.11146778567
                 18.834177695            0.65349301031
                  7.7176595741           0.44770534421
            S    3   1.00
                 13.710846717           -0.22870911122
                  2.2349895670           0.73464423031
                  0.87818360069          0.43273070874
            S    1   1.00
                  0.87187458064D-01      1.0000000
            S    1   1.00
                  0.32969114665D-01      1.0000000
            P    5   1.00
                991.24075782             0.93878498798D-02
                233.69376116             0.70208282458D-01
                 74.020930927            0.27323522220
                 26.664967447            0.53580792728
                  9.9192087478           0.34575794906
            P    3   1.00
                  5.1519553926           0.34229108083
                  1.9638205828           0.56456592484
                  0.71560097037          0.24078584318
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.38734214974D-01      1.0000000
            D    4   1.00
                 47.335049590            0.32375547758D-01
                 13.161666077            0.16810218684
                  4.3693777244           0.38477707982
                  1.4132925109           0.46147880178
            D    1   1.00
                  0.38878001452           .32388873258
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    6   1.00
              82000.7116290              0.14210764000D-02
              12312.4717770              0.10891499487D-01
               2801.3944193              0.54057188059D-01
                790.99424302             0.18847463904
                257.56551079             0.38346549346
                 88.814933400            0.29723794197
            S    3   1.00
                171.86353716            -0.11051849523
                 20.302534785            0.64607716984
                  8.3464123068           0.44220117322
            S    3   1.00
                 14.847536940           -0.22705309278
                  2.4495029507           0.72433217935
                  0.99845821824          0.44836495592
            S    1   1.00
                  0.11891307937          1.0000000
            S    1   1.00
                  0.42297428760D-01      1.0000000
            P    5   1.00
               1071.5185372              0.92767797235D-02
                252.69712152             0.69541149434D-01
                 80.100829126            0.27156772564
                 28.903393172            0.53401355573
                 10.768899879            0.34501323446
            P    3   1.00
                  5.6446212530           0.34129600164
                  2.1678291347           0.56390521973
                  0.80540898341          0.23676109735
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.42022716037D-01      1.0000000
            D    4   1.00
                 56.088939191            0.29588869140D-01
                 15.751908917            0.158725714045
                  5.3115812367           0.379762291591
                  1.7737904917           0.468989591719
            D    1   1.00
                  0.51975583665           .309071490776
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    6   1.00
              87842.1262960              0.14271588798D-02
              13189.4964020              0.10938894097D-01
               3000.9482141              0.54308200127D-01
                847.38425966             0.18951055983
                276.00980642             0.38615185918
                 95.216672071            0.30051082719
            S    3   1.00
                184.00703968            -0.11124461963
                 21.827051433            0.64831322918
                  9.0026963761           0.44358383594
            S    3   1.00
                 16.033176938           -0.23014299555
                  2.6707724878           0.72946861516
                  1.1252834170           0.46214976951
            S    1   1.00
                  0.15967608829          1.0000000
            S    1   1.00
                  0.57643044753D-01      1.0000000
            S    1   1.00
                  0.31819812628D-01      1.0000000
            P    5   1.00
               1167.2665844              0.90974021307D-02
                275.38062789             0.68456273343D-01
                 87.375073070            0.26922293888
                 31.597254670            0.53507897882
                 11.824122798            0.35279062760
            P    3   1.00
                  6.2881845133           0.33938244530
                  2.5199853240           0.56871947608
                  1.0169726306           0.27717694939
            P    1   1.00
                  0.24748373604          1.0000000
            P    1   1.00
                  0.66685294163D-01      1.0000000
            D    4   1.00
                 65.354237674            0.27370146382D-01
                 18.504656747            0.15099463976
                  6.3179620632           0.37485328545
                  2.1641389426           0.47510606851
            D    1   1.00
                  0.66693092754           .29843287401
            D    1   1.00
                  0.2070000              1.0000000
            D    1   1.00
                  0.49799390975D-01      1.0000000
            ****
            -Ge     0
            S    6   1.00
              93889.8366420              0.14233976060D-02
              14097.4975280              0.10910795654D-01
               3207.5477309              0.54183705943D-01
                905.76727269             0.18922820349
                295.11014693             0.38612847001
                101.84713141             0.30164050736
            S    3   1.00
                196.56719662            -0.11118770940
                 23.405292522            0.64616007369
                  9.6839116702           0.44188904568
            S    3   1.00
                 17.269736544           -0.23027421375
                  2.8964622160           0.73017169398
                  1.2553621412           0.46197222255
            S    1   1.00
                  0.20213081492          1.0000000
            S    1   1.00
                  0.73867910982D-01      1.0000000
            S    1   1.00
                  0.43410224935D-01      1.0000000
            P    5   1.00
               1259.2085995              0.90115464252D-02
                297.15626382             0.67986841689D-01
                 94.353387522            0.26853856488
                 34.176329677            0.53659649219
                 12.816139615            0.35633514961
            P    3   1.00
                  6.8471029784           0.33900693119
                  2.7717363939           0.56809365264
                  1.1458418175           0.27246539884
            P    1   1.00
                  0.30679631536          1.0000000
            P    1   1.00
                  0.89283644115D-01      1.0000000
            D    4   1.00
                 74.782168177            0.25755860205D-01
                 21.310849759            0.14536816132
                  7.3464792363           0.37134209859
                  2.5656271395           0.48002998436
            D    1   1.00
                  0.81981773070           .28978790744
            D    1   1.00
                  0.2460000              1.0000000
            D    1   1.00
                  0.66328328796D-01      1.0000000
            ****
            -As     0
            S    6   1.00
             100146.5255400              0.14258349617D-02
              15036.8617110              0.10930176963D-01
               3421.2902833              0.54294174610D-01
                966.16965717             0.18976078153
                314.87394026             0.38775195453
                108.70823790             0.30402812040
            S    3   1.00
                209.54238950            -0.11162094204
                 25.038221139            0.64697607762
                 10.390964343            0.44223608673
            S    3   1.00
                 18.555090093           -0.22994190569
                  3.1281217449           0.73319107613
                  1.3884885073           0.45533653943
            S    1   1.00
                  0.24714362141          1.0000000
            S    1   1.00
                  0.91429428670D-01      1.0000000
            S    1   1.00
                  0.55939685220D-01      1.0000000
            P    5   1.00
               1355.6443507              0.89182507898D-02
                319.99929270             0.67454750717D-01
                101.67734092             0.26759772110
                 36.886323845            0.53776844520
                 13.861115909            0.35992570244
            P    3   1.00
                  7.4260666912           0.34036849637
                  3.0316247187           0.57030149334
                  1.2783078340           0.26606170238
            P    1   1.00
                  0.37568503356          1.0000000
            P    1   1.00
                  0.11394805454          1.0000000
            D    4   1.00
                 84.445514539            0.24518402724D-01
                 24.190416102            0.14107454677
                  8.4045015119           0.36875228915
                  2.9808970748           0.48409561362
            D    1   1.00
                  0.97909243359           .28250268781
            D    1   1.00
                  0.2930000              1.0000000
            D    1   1.00
                  0.84097628016D-01      1.0000000
            ****
            -Se     0
            S    6   1.00
             106612.2002700              0.14274889113D-02
              16007.6047010              0.10943525114D-01
               3642.1699707              0.54374171596D-01
               1028.5912993              0.19018092947
                335.30298888             0.38913021696
                115.80129154             0.30620207088
            S    3   1.00
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            ****
            -Sb     0
            S    6   1.00
                372.76139166             0.15878057239D-02
                 22.689478596           -0.15027605583
                 18.391547037            0.35915813039
                  7.6406271414          -0.74805091065
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            S    2   1.00
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            S    1   1.00
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                 10.052739237           -0.41511149340
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            P    1   1.00
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            P    1   1.00
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                 18.504059617           -0.54952972010D-02
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                  1.7142196009           0.51273377761
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            D    1   1.00
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            ****
            -Te     0
            S    6   1.00
                396.47954659             0.26307731203D-02
                 21.919773309           -0.13203517066
                 18.061271390            0.36203197834
                  8.1403463241          -0.75591120276
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            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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                 10.433943171           -0.41205302672
                  1.3623024763           0.78760578076
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 18.884095378           -0.35221408938D-02
                  4.2527304630           0.28254216065
                  1.8757557092           0.52039372916
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            D    1   1.00
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            D    1   1.00
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            ****
            -I     0
            S    6   1.00
                445.90489176             0.20037290389D-02
                 23.336842412           -0.14989397324
                 19.583446104            0.36436474913
                  8.5112089186          -0.75538138199
                  2.1996161861           0.82816359356
                  1.0668970454           0.42161048110
            S    2   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 20.499027254            0.77159335656D-01
                 10.558754576           -0.38370372780
                  1.5015895485           0.83554174719
                  0.64597173095          0.16787259488
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 51.235354920            0.40345130346D-02
                 15.616239482           -0.50768108881D-02
                  4.5266002139           0.29151065356
                  2.0529808766           0.51145783605
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            D    1   1.00
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            D    1   1.00
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
                 23.012587807           -0.14698707182
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            S    2   1.00
                 11.752550163            0.66038420156
                  6.2390917199           0.38470524721
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
                 13.960683826           -0.50950157807D-01
                  4.0928947097           0.36669211800
                  2.2546815460           0.72619456861
                  1.1546596184           0.35555871740
            P    3   1.00
                193.81432545             0.95394802497D-03
                 21.725228086            0.57393353332D-01
                  9.8891605641          -0.27974266640
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    6   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
                  5.2602537686           0.22890785589
                  2.6590627424           0.44434407051
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            D    1   1.00
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            ****
            -Cs     0
            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
                  1.8048475155           0.69930637051
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  1.9656663360          -0.25019961976
                  0.47689195212          0.55660850066
                  0.21529749588          0.58218553406
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    3   1.00
                  2.3961900000          -5.9554766710
                  2.2433050000           6.6805648241
                  0.71740200000         -0.57055347037
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.5207180000          -1.0707548832
                  0.67578180854          0.34940781448
                  0.31985844531          0.65041110673
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.1038910              0.4732600
            D    1   1.00
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            F    4   1.00
                 10.00                   0.073
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                  1.00                   0.350
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44173707857
                  4.2709780000           0.85812489720
            S    1   1.00
                  2.1823803999           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  2.3820950000           0.51718364643673D+00
                  0.67246658081         -0.44823115995325D+00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.89049882672          0.25137236211233D+00
                  0.32947291040          0.44604068239531D+00
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            D    1   1.00
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            ****
            -Hf     0
            S    2   1.00
                 14.592485000           -0.80196298812
                 11.547491000            1.5261602829
            S    1   1.00
                  4.9112973928           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                  5.9599790000          -0.83713508620273
                  1.0921117054           0.50570506286223
                  0.49702823217          0.51965388690539
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  1.3077987772           0.18409232564002
                  0.53272310298          0.41484423515705
                  0.20564954488          0.44224303496859
            D    1   1.00
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            F    1   1.00
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            ****
            -Ta     0
            S    2   1.00
                 14.400000000            0.99343296745
                 12.000000000           -1.6510077975
            S    1   1.00
                  5.0701477302           1.0000000
            S    1   1.00
                  0.86033356487          1.0000000
            S    1   1.00
                  0.37158938894          1.0000000
            S    1   1.00
                  0.10745336254          1.0000000
            S    1   1.00
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                  5.6984100000          -0.46968874449
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                  0.54478533555          0.52298161137
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.61042908544          0.42959071631
                  0.24216276510          0.43497228231503D+00
            D    1   1.00
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            ****
            -W     0
            S    2   1.00
                 15.000000000           -0.53315505392
                 12.000000000            1.0014141748
            S    1   1.00
                  5.2610967725           1.0000000
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                  0.11585976646          1.0000000
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                  6.0848760000          -0.66720686321
                  1.2523777812           0.52090351989
                  0.58569208922          0.51885687511
            P    1   1.00
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            D    4   1.00
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                  0.69187452392          0.44121676843
                  0.27865835325          0.43158409241461D+00
            D    1   1.00
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            ****
            -Re     0
            S    2   1.00
                 14.781862000           -1.1395193885
                 12.324075000            1.9371421121
            S    1   1.00
                  5.5098597284           1.0000000
            S    1   1.00
                  0.98874104687          1.0000000
            S    1   1.00
                  0.42833312030          1.0000000
            S    1   1.00
                  0.12296804533          1.0000000
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            P    4   1.00
                  7.4040050000           0.54510937865
                  6.3502060000          -0.76096056536
                  1.3311713455           0.53252276765
                  0.62659600547          0.51483045040
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.78702048429          0.45160766937
                  0.32069843172          0.43261236265745D+00
            D    1   1.00
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                  0.4898900              1.0000000
            ****
            -Os     0
            S    2   1.00
                 15.286736000           -1.0647114485
                 12.700638000            1.8433193269
            S    1   1.00
                  5.7094832504           1.0000000
            S    1   1.00
                  1.0689228744           1.0000000
            S    1   1.00
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            S    1   1.00
                  0.13253456992          1.0000000
            S    1   1.00
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            P    4   1.00
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                  6.3036410000          -0.56379438345
                  1.4351579676           0.52360040577
                  0.68442749722          0.52445339821
            P    1   1.00
                  0.28347394974          1.0000000
            P    1   1.00
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            P    1   1.00
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            D    4   1.00
                  3.5808150000          -0.42773932262
                  3.1961650000           0.44501403992
                  1.0550226354           0.43689459722
                  0.41588406618          0.48220605798770D+00
            D    1   1.00
                  0.14653507868          1.0000000
            F    1   1.00
                  0.5506500              1.0000000
            ****
            -Ir     0
            S    2   1.00
                 15.293709000           -1.6731899791
                 13.573682000            2.3934378976
            S    1   1.00
                  5.8213436542           1.0000000
            S    1   1.00
                  1.1520364268           1.0000000
            S    1   1.00
                  0.51104895338          1.0000000
            S    1   1.00
                  0.14084043578          1.0000000
            S    1   1.00
                  0.49828673085D-01      1.0000000
            P    4   1.00
                  8.6697960000           0.21469187346391
                  6.2456140000          -0.44863071815131
                  1.5657036153           0.50653393256771
                  0.75577412863          0.54052273352337
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.3617430000           0.56835425804006
                  1.1177053710           0.44304381513032
                  0.44322534858          0.47078394930144
            D    1   1.00
                  0.15641305125          1.0000000
            F    1   1.00
                  0.6100800              1.0000000
            ****
            -Pt     0
            S    2   1.00
                 16.559563000           -0.53808800717
                 13.892440000            0.91402161377
            S    1   1.00
                  5.8531044732           1.0000000
            S    1   1.00
                  1.2498640609           1.0000000
            S    1   1.00
                  0.55606439459          1.0000000
            S    1   1.00
                  0.13793093812          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.2000000000          -0.95441807252
                  1.5588402917           0.57140490320
                  0.73230402180          0.49508234268
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  0.93629991261          0.46533857641
                  0.37160028160          0.41129165525
            D    1   1.00
                  0.13155928617          1.0000000
            F    1   1.00
                  0.6681300              1.0000000
            ****
            -Au     0
            S    2   1.00
                 20.115299000           -0.15910719389
                 12.193477000            0.79105526778
            S    1   1.00
                  6.0735294368           1.0000000
            S    1   1.00
                  1.3174451569           1.0000000
            S    1   1.00
                  0.58596768244          1.0000000
            S    1   1.00
                  0.13875427354          1.0000000
            S    1   1.00
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            P    4   1.00
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                  7.3353260000          -0.72681584494
                  1.6575296365           0.57315511417
                  0.78159310216          0.49579068859
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.5682570000           0.40197233762
                  1.2345757130           0.46001988624
                  0.48190232338          0.46152130957882D+00
            D    1   1.00
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            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    2   1.00
                 26.842049000           -0.26845096483D-01
                 10.320909000            0.81771278143
            S    1   1.00
                  6.3656242291           1.0000000
            S    1   1.00
                  1.3898932095           1.0000000
            S    1   1.00
                  0.63706742699          1.0000000
            S    1   1.00
                  0.16047725098          1.0000000
            S    1   1.00
                  0.56410423453D-01      1.0000000
            P    4   1.00
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                  7.1690950000          -0.44026342153
                  1.7559567931           0.58406314464
                  0.83145670425          0.49359746203
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  3.4800000000           0.37748470203231
                  1.2535869926           0.48342275878173
                  0.50841366863          0.43493523158359
            D    1   1.00
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            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    6   1.00
                 45.356924655            0.50938157397D-02
                 20.278843336           -0.14805704314
                 14.420612394            0.36768453564
                  6.2161909754          -0.66820394623
                  1.5002511178           0.96232806743
                  0.76330879305          0.33175999361
            S    2   1.00
                  7.8193195283          -0.18828631537D-01
                  1.3176904042           0.32093431467
            S    1   1.00
                  0.17643545481          1.0000000
            S    1   1.00
                  0.65296835238D-01      1.0000000
            S    1   1.00
                  0.24592841139D-01      1.0000000
            P    4   1.00
                  9.0323058024           0.22738839085
                  7.5356419671          -0.35117975889
                  1.0521421998           0.25690085604
                  0.50303932656          0.84549942764D-01
            P    1   1.00
                  2.0067660913           1.0000000
            P    1   1.00
                  0.16675605056          1.0000000
            P    1   1.00
                  0.48596401464D-01      1.0000000
            D    5   1.00
                  9.4421940760           0.58250776986D-01
                  7.4410003381          -0.11789199301
                  1.9831617772           0.34232057636
                  0.91671748567          0.47557282350
                  0.39647207885          0.30528029435
            D    1   1.00
                  0.15500000000          1.0000000
            D    1   1.00
                  0.39237960293D-01      1.0000000
            ****
            -Pb     0
            S    6   1.00
                 55.727520333            0.29681153058D-02
                 20.302912827           -0.14352634362
                 14.558628750            0.37554188507
                  6.5370530973          -0.67253099800
                  1.5933900686           0.95887533909
                  0.83051419711          0.32593632538
            S    2   1.00
                  8.0719473648          -0.20412061217D-01
                  1.4165737490           0.32865829049
            S    1   1.00
                  0.20418933370          1.0000000
            S    1   1.00
                  0.77159007761D-01      1.0000000
            S    1   1.00
                  0.33059793391D-01      1.0000000
            P    4   1.00
                  9.5531412199           0.20542943990
                  7.5327685129          -0.36407590058
                  1.1185539567           0.32217481686
                  0.53739855255          0.96677743015D-01
            P    1   1.00
                  2.1359869828           1.0000000
            P    1   1.00
                  0.20027494801          1.0000000
            P    1   1.00
                  0.63408011513D-01      1.0000000
            D    5   1.00
                 13.494505735            0.11571042371D-01
                  7.0609770411          -0.66746645076D-01
                  2.1581835375           0.33978760942
                  1.0148541418           0.48523039273
                  0.44632672920          0.29682924018
            D    1   1.00
                  0.17500000000          1.0000000
            D    1   1.00
                  0.50585085346D-01      1.0000000
            ****
            -Bi     0
            S    6   1.00
                175.19632102             0.80278879028D-03
                 19.820147783           -0.14624461250
                 14.960110102            0.37435719885
                  6.7065785571          -0.68476017748
                  1.7391967524           0.90967322081
                  0.94504730591          0.38695797807
            S    2   1.00
                  8.4636832909          -0.20037183144D-01
                  1.5317838545           0.31054408682
            S    1   1.00
                  0.23405391503          1.0000000
            S    1   1.00
                  0.90268814613D-01      1.0000000
            S    1   1.00
                  0.41577775054D-01      1.0000000
            P    4   1.00
                 10.672046293            0.14391258793
                  7.1992185915          -0.37994608603
                  1.5359697528           0.53268032065
                  0.72201275727          0.23037698678
            P    1   1.00
                  2.8508661858           1.0000000
            P    1   1.00
                  0.23769418731          1.0000000
            P    1   1.00
                  0.78768140453D-01      1.0000000
            D    5   1.00
                 15.834273510            0.85062993231D-02
                  7.0956896087          -0.65954380016D-01
                  2.3363137007           0.33707163406
                  1.1208861366           0.49128719933
                  0.50309487376          0.29095930644
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.62256480090D-01      1.0000000
            ****
            -Po     0
            S    6   1.00
                278.13783916             0.91690497839D-03
                 19.659291105           -0.14713009283
                 15.016229647            0.38790413631
                  7.1149978720          -0.67059966298
                  1.7879214122           0.91212928327
                  0.94021655206          0.29153755200
            S    2   1.00
                  8.7584161749          -0.21561417525D-01
                  1.6503945866           0.31638990001
            S    1   1.00
                  0.26329582133          1.0000000
            S    1   1.00
                  0.10190654304          1.0000000
            S    1   1.00
                  0.36854928339D-01      1.0000000
            P    4   1.00
                 10.445945973            0.23631841405
                  8.0293101888          -0.45017818996
                  1.3588798023           0.44160334658
                  0.66829182929          0.14575285544
            P    1   1.00
                  2.4460635387           1.0000000
            P    1   1.00
                  0.27242942777          1.0000000
            P    1   1.00
                  0.88796031338D-01      1.0000000
            P    1   1.00
                  0.24278917089D-01      1.0000000
            D    5   1.00
                 18.292670150            0.72030963652D-02
                  7.1695578539          -0.66160544754D-01
                  2.5029225180           0.34363449378
                  1.2115945443           0.50529101033
                  0.54713334240          0.28301155453
            D    1   1.00
                  0.21500000000          1.0000000
            D    1   1.00
                  0.60680939679D-01      1.0000000
            ****
            -At     0
            S    6   1.00
                303.23376176             0.63504969788D-03
                 20.289449240           -0.13823165350
                 15.383783126            0.38333193283
                  7.4702184232          -0.66837560338
                  1.8731608346           0.91545877992
                  0.97426847543          0.25559567998
            S    2   1.00
                  8.9610112498          -0.23092977605D-01
                  1.7804284294           0.31690635939
            S    1   1.00
                  0.29269461143          1.0000000
            S    1   1.00
                  0.11395353119          1.0000000
            S    1   1.00
                  0.42558321816D-01      1.0000000
            P    4   1.00
                 10.722023134            0.26194870008
                  8.4823338656          -0.46607228264
                  1.3474291294           0.42119853309
                  0.62824011467          0.10643224457
            P    1   1.00
                  2.4814896839           1.0000000
            P    1   1.00
                  0.31036518470          1.0000000
            P    1   1.00
                  0.10144862043          1.0000000
            P    1   1.00
                  0.26996558228D-01      1.0000000
            D    5   1.00
                 20.799819604            0.65227965381D-02
                  7.1664616770          -0.67780885217D-01
                  2.6934397048           0.33954991335
                  1.3175112423           0.50899559178
                  0.59997066293          0.27526771759
            D    1   1.00
                  0.23500000000          1.0000000
            D    1   1.00
                  0.67929272623D-01      1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/B3LYPDBJ_def2SVPD/Gau-149850.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/B3LYPDBJ_def2SVPD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    149858.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                12-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=40GB
 %chk=26_junionone_conformer16_STD_B3LYPDBJ_def2SVPD
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 12 20:40:41 2021, MaxMem=  5368709120 cpu:               1.2 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "26_junionone_conformer16_STD_B3LYPDBJ_def2SVPD.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -1.485066000000      1.535508000000      0.995717000000
  C                                                -1.964270000000      0.354337000000      0.169547000000
  C                                                -0.934638000000     -0.307866000000     -0.846345000000
  C                                                 0.477967000000      0.112788000000     -0.654337000000
  C                                                 1.471106000000     -0.598339000000     -0.115965000000
  C                                                 2.851804000000     -0.112191000000      0.077031000000
  O                                                 3.682669000000     -0.839361000000      0.588984000000
  C                                                -3.274545000000      0.684558000000     -0.534829000000
  C                                                -2.024735000000     -1.012418000000      0.905189000000
  C                                                -1.363686000000     -1.694239000000     -0.311922000000
  C                                                 3.216658000000      1.291528000000     -0.361451000000
  H                                                -3.015985000000     -1.360206000000      1.197288000000
  H                                                -1.377025000000     -1.026699000000      1.782146000000
  H                                                -1.206644000000     -0.112214000000     -1.887536000000
  H                                                -0.575354000000     -2.414544000000     -0.105810000000
  H                                                -2.088300000000     -2.168848000000     -0.971807000000
  H                                                -1.347999000000      2.427758000000      0.379001000000
  H                                                -0.540528000000      1.319655000000      1.496298000000
  H                                                -2.223853000000      1.776479000000      1.764262000000
  H                                                -4.046771000000      0.944947000000      0.193127000000
  H                                                -3.639778000000     -0.160746000000     -1.121415000000
  H                                                -3.149481000000      1.533679000000     -1.211412000000
  H                                                 0.689742000000      1.126725000000     -0.981414000000
  H                                                 1.317618000000     -1.613357000000      0.229455000000
  H                                                 3.040069000000      1.424253000000     -1.430781000000
  H                                                 4.267803000000      1.463502000000     -0.144304000000
  H                                                 2.611565000000      2.032515000000      0.165225000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1
 NAtoms=     27 NQM=       27 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          16          12          12          12
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           0           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   6.0000000   6.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12           1           1           1           1           1           1           1           1           1
 AtmWgt=  12.0000000   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           1           1           1           1           1           1           1           1           1
 AtZEff=   3.6000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26          27
 IAtWgt=           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Aug 12 20:40:41 2021, MaxMem=  5368709120 cpu:               0.9 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.485066    1.535508    0.995717
      2          6           0       -1.964270    0.354337    0.169547
      3          6           0       -0.934638   -0.307866   -0.846345
      4          6           0        0.477967    0.112788   -0.654337
      5          6           0        1.471106   -0.598339   -0.115965
      6          6           0        2.851804   -0.112191    0.077031
      7          8           0        3.682669   -0.839361    0.588984
      8          6           0       -3.274545    0.684558   -0.534829
      9          6           0       -2.024735   -1.012418    0.905189
     10          6           0       -1.363686   -1.694239   -0.311922
     11          6           0        3.216658    1.291528   -0.361451
     12          1           0       -3.015985   -1.360206    1.197288
     13          1           0       -1.377025   -1.026699    1.782146
     14          1           0       -1.206644   -0.112214   -1.887536
     15          1           0       -0.575354   -2.414544   -0.105810
     16          1           0       -2.088300   -2.168848   -0.971807
     17          1           0       -1.347999    2.427758    0.379001
     18          1           0       -0.540528    1.319655    1.496298
     19          1           0       -2.223853    1.776479    1.764262
     20          1           0       -4.046771    0.944947    0.193127
     21          1           0       -3.639778   -0.160746   -1.121415
     22          1           0       -3.149481    1.533679   -1.211412
     23          1           0        0.689742    1.126725   -0.981414
     24          1           0        1.317618   -1.613357    0.229455
     25          1           0        3.040069    1.424253   -1.430781
     26          1           0        4.267803    1.463502   -0.144304
     27          1           0        2.611565    2.032515    0.165225
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.518999   0.000000
     3  C    2.663492   1.590815   0.000000
     4  C    2.932628   2.588755   1.486361   0.000000
     5  C    3.811574   3.576439   2.530896   1.334867   0.000000
     6  C    4.729412   4.839502   3.902314   2.494116   1.476453
     7  O    5.701835   5.786948   4.864379   3.566868   2.333679
     8  C    2.503782   1.523815   2.560686   3.797703   4.933809
     9  C    2.606025   1.553333   2.180040   3.156220   3.665395
    10  C    3.486534   2.188419   1.546519   2.602745   3.045561
    11  C    4.899759   5.291720   4.475091   2.995937   2.584340
    12  H    3.281692   2.258764   3.100945   4.219707   4.736989
    13  H    2.682359   2.202860   2.760687   3.267396   3.449372
    14  H    3.332515   2.241262   1.093776   2.099838   3.247326
    15  H    4.200458   3.109921   2.261762   2.792449   2.736184
    16  H    4.237605   2.772099   2.193155   3.448532   3.983508
    17  H    1.093269   2.173186   3.025885   3.124264   4.165286
    18  H    1.090562   2.172360   2.879605   2.668162   3.213217
    19  H    1.092948   2.152437   3.580759   3.989652   4.777838
    20  H    2.748681   2.164760   3.512181   4.678027   5.737964
    21  H    3.464435   2.176975   2.723066   4.153168   5.227194
    22  H    2.764362   2.168553   2.903462   3.935434   5.205317
    23  H    2.967480   2.994173   2.171383   1.086230   2.082157
    24  H    4.284571   3.827035   2.816791   2.113215   1.083114
    25  H    5.135866   5.361826   4.374940   2.981136   2.877719
    26  H    5.865180   6.337782   5.540397   4.055542   3.474695
    27  H    4.209408   4.873866   4.367632   2.984841   2.881164
                    6          7          8          9         10
     6  C    0.000000
     7  O    1.217049   0.000000
     8  C    6.208167   7.210278   0.000000
     9  C    5.027612   5.718776   2.552529   0.000000
    10  C    4.519349   5.196936   3.059370   1.543770   0.000000
    11  C    1.515194   2.379324   6.521824   5.863851   5.467797
    12  H    6.102742   6.746353   2.692237   1.090346   2.262606
    13  H    4.650456   5.201849   3.449254   1.090315   2.197933
    14  H    4.508938   5.528768   2.596320   3.046137   2.238308
    15  H    4.132756   4.592897   4.132085   2.255833   1.087561
    16  H    5.452937   6.124352   3.120906   2.205558   1.088929
    17  H    4.917405   6.002148   2.754162   3.545371   4.179531
    18  H    3.946190   4.829075   3.464632   2.826808   3.609821
    19  H    5.672400   6.565889   2.753555   2.924996   4.134769
    20  H    6.980068   7.942588   1.092728   2.902919   3.797278
    21  H    6.601459   7.550113   1.091795   2.727789   2.861376
    22  H    6.354872   7.453256   1.092892   3.496808   3.797052
    23  H    2.707348   3.910148   4.013791   3.937460   3.552833
    24  H    2.151850   2.514318   5.191580   3.462523   2.736608
    25  H    2.160926   3.101021   6.420610   6.086572   5.510889
    26  H    2.129988   2.486618   7.592515   6.843073   6.458567
    27  H    2.159921   3.094270   6.078927   5.595931   5.469825
                   11         12         13         14         15
    11  C    0.000000
    12  H    6.950338   0.000000
    13  H    5.574146   1.771857   0.000000
    14  H    4.885185   3.787788   3.785747   0.000000
    15  H    5.308453   2.960806   2.476523   2.978892   0.000000
    16  H    6.363122   2.493887   3.065073   2.417772   1.760489
    17  H    4.761867   4.219057   3.728664   3.407144   4.927465
    18  H    4.191476   3.660458   2.507352   3.734206   4.063521
    19  H    5.861143   3.284467   2.928352   4.235269   4.876412
    20  H    7.292810   2.717460   3.679662   3.676013   4.840070
    21  H    7.049635   2.684065   3.781612   2.551360   3.937227
    22  H    6.427192   3.767523   4.319552   2.634525   4.841172
    23  H    2.607071   4.966284   4.067680   2.439735   3.861054
    24  H    3.520494   4.447572   3.164825   3.620356   2.082702
    25  H    1.091909   7.164897   5.986717   4.539155   5.437205
    26  H    1.087030   7.926334   6.463466   5.957458   6.204586
    27  H    1.092056   6.651694   5.280348   4.836570   5.477796
                   16         17         18         19         20
    16  H    0.000000
    17  H    4.847836   0.000000
    18  H    4.544975   1.768687   0.000000
    19  H    4.803130   1.763585   1.764674   0.000000
    20  H    3.858549   3.084906   3.759309   2.546162   0.000000
    21  H    2.542035   3.768800   4.318490   3.752974   1.765282
    22  H    3.859044   2.564006   3.766183   3.125760   1.767615
    23  H    4.310268   2.774131   2.773057   4.055854   4.883354
    24  H    3.654022   4.843396   3.695965   5.136987   5.943308
    25  H    6.278630   4.851543   4.625949   6.167758   7.286296
    26  H    7.367413   5.721964   5.082550   6.773638   8.337560
    27  H    6.405702   3.984980   3.495084   5.099386   6.746630
                   21         22         23         24         25
    21  H    0.000000
    22  H    1.766230   0.000000
    23  H    4.519062   3.867576   0.000000
    24  H    5.339542   5.651098   3.060798   0.000000
    25  H    6.872284   6.194403   2.411325   3.866561   0.000000
    26  H    8.131591   7.493981   3.690080   4.279059   1.778734
    27  H    6.748713   5.944209   2.414258   3.869213   1.760918
                   26         27
    26  H    0.000000
    27  H    1.778400   0.000000
 Stoichiometry    C10H16O
 Framework group  C1[X(C10H16O)]
 Deg. of freedom    75
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 1.96D-17
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.485066    1.535508    0.995717
      2          6           0       -1.964270    0.354337    0.169547
      3          6           0       -0.934638   -0.307866   -0.846345
      4          6           0        0.477967    0.112788   -0.654337
      5          6           0        1.471106   -0.598339   -0.115965
      6          6           0        2.851804   -0.112191    0.077031
      7          8           0        3.682669   -0.839361    0.588984
      8          6           0       -3.274545    0.684558   -0.534829
      9          6           0       -2.024735   -1.012418    0.905189
     10          6           0       -1.363686   -1.694239   -0.311922
     11          6           0        3.216658    1.291528   -0.361451
     12          1           0       -3.015985   -1.360206    1.197288
     13          1           0       -1.377025   -1.026699    1.782146
     14          1           0       -1.206644   -0.112214   -1.887536
     15          1           0       -0.575354   -2.414544   -0.105810
     16          1           0       -2.088300   -2.168848   -0.971807
     17          1           0       -1.347999    2.427758    0.379001
     18          1           0       -0.540528    1.319655    1.496298
     19          1           0       -2.223853    1.776479    1.764262
     20          1           0       -4.046771    0.944947    0.193127
     21          1           0       -3.639778   -0.160746   -1.121415
     22          1           0       -3.149481    1.533679   -1.211412
     23          1           0        0.689742    1.126725   -0.981414
     24          1           0        1.317618   -1.613357    0.229455
     25          1           0        3.040069    1.424253   -1.430781
     26          1           0        4.267803    1.463502   -0.144304
     27          1           0        2.611565    2.032515    0.165225
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           2.2237449           0.5495901           0.5003487
 Leave Link  202 at Thu Aug 12 20:40:41 2021, MaxMem=  5368709120 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      12     13     14     15     16     17     18     19     20     21
 Centers:      22     23     24     25     26     27
 S 3 1.00
     Exponent=  1.3010701000D+01 Coefficients=  1.9682158000D-02
     Exponent=  1.9622572000D+00 Coefficients=  1.3796524000D-01
     Exponent=  4.4453796000D-01 Coefficients=  4.7831935000D-01
 S 1 1.00
     Exponent=  1.2194962000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.1704099050D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      8      9     10     11
 S 5 1.00
     Exponent=  1.2384016938D+03 Coefficients=  5.4568832082D-03
     Exponent=  1.8629004992D+02 Coefficients=  4.0638409211D-02
     Exponent=  4.2251176346D+01 Coefficients=  1.8025593888D-01
     Exponent=  1.1676557932D+01 Coefficients=  4.6315121755D-01
     Exponent=  3.5930506482D+00 Coefficients=  4.4087173314D-01
 S 1 1.00
     Exponent=  4.0245147363D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.3090182668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.7053540256D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  9.4680970621D+00 Coefficients=  3.8387871728D-02
     Exponent=  2.0103545142D+00 Coefficients=  2.1117025112D-01
     Exponent=  5.4771004707D-01 Coefficients=  5.1328172114D-01
 P 1 1.00
     Exponent=  1.5268613795D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1713185140D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       7
 S 5 1.00
     Exponent=  2.2661767785D+03 Coefficients= -5.3431809926D-03
     Exponent=  3.4087010191D+02 Coefficients= -3.9890039230D-02
     Exponent=  7.7363135167D+01 Coefficients= -1.7853911985D-01
     Exponent=  2.1479644940D+01 Coefficients= -4.6427684959D-01
     Exponent=  6.6589433124D+00 Coefficients= -4.4309745172D-01
 S 1 1.00
     Exponent=  8.0975975668D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.5530772234D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.6572453250D-02 Coefficients=  1.0000000000D+00
 P 3 1.00
     Exponent=  1.7721504317D+01 Coefficients=  4.3394573193D-02
     Exponent=  3.8635505440D+00 Coefficients=  2.3094120765D-01
     Exponent=  1.0480920883D+00 Coefficients=  5.1375311064D-01
 P 1 1.00
     Exponent=  2.7641544411D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.9002276350D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.2000000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.7992024323D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   373 symmetry adapted cartesian basis functions of A   symmetry.
 There are   351 symmetry adapted basis functions of A   symmetry.
   351 basis functions,   515 primitive gaussians,   373 cartesian basis functions
    42 alpha electrons       42 beta electrons
       nuclear repulsion energy       614.7756254778 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   27 NActive=   27 NUniq=   27 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0463269031 Hartrees.
 Nuclear repulsion after empirical dispersion term =      614.7292985747 Hartrees.
 Leave Link  301 at Thu Aug 12 20:40:42 2021, MaxMem=  5368709120 cpu:               4.7 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   351 RedAO= T EigKep=  1.56D-05  NBF=   351
 NBsUse=   351 1.00D-06 EigRej= -1.00D+00 NBFU=   351
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   373   373   373   373   373 MxSgAt=    27 MxSgA2=    27.
 Leave Link  302 at Thu Aug 12 20:40:43 2021, MaxMem=  5368709120 cpu:               3.7 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 12 20:40:43 2021, MaxMem=  5368709120 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "26_junionone_conformer16_STD_B3LYPDBJ_def2SVPD.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000   -0.000000    0.000000
         Rot=    1.000000   -0.000000   -0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Aug 12 20:40:43 2021, MaxMem=  5368709120 cpu:               2.9 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5368709120 LenX=  5368424127 LenY=  5368284557
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 960000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -465.618067211180    
 DIIS: error= 2.52D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -465.618067211180     IErMin= 1 ErrMin= 2.52D-03
 ErrMax= 2.52D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.06D-03 BMatP= 8.06D-03
 IDIUse=3 WtCom= 9.75D-01 WtEn= 2.52D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.192 Goal=   None    Shift=    0.000
 GapD=    0.192 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=1.17D-02 MaxDP=1.26D+00              OVMax= 1.62D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  9.93D-03    CP:  1.30D+00
 E= -465.625126509500     Delta-E=       -0.007059298320 Rises=F Damp=F
 DIIS: error= 1.12D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -465.625126509500     IErMin= 2 ErrMin= 1.12D-03
 ErrMax= 1.12D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.63D-04 BMatP= 8.06D-03
 IDIUse=3 WtCom= 9.89D-01 WtEn= 1.12D-02
 Coeff-Com:  0.356D-01 0.964D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.352D-01 0.965D+00
 Gap=     0.197 Goal=   None    Shift=    0.000
 RMSDP=5.28D-04 MaxDP=6.41D-02 DE=-7.06D-03 OVMax= 1.12D-02

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  2.40D-04    CP:  1.31D+00  1.04D+00
 E= -465.624774286113     Delta-E=        0.000352223387 Rises=F Damp=F
 DIIS: error= 1.77D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 2 EnMin= -465.625126509500     IErMin= 2 ErrMin= 1.12D-03
 ErrMax= 1.77D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.39D-04 BMatP= 2.63D-04
 IDIUse=3 WtCom= 1.92D-01 WtEn= 8.08D-01
 Coeff-Com: -0.117D-01 0.636D+00 0.376D+00
 Coeff-En:   0.000D+00 0.689D+00 0.311D+00
 Coeff:     -0.225D-02 0.679D+00 0.323D+00
 Gap=     0.193 Goal=   None    Shift=    0.000
 RMSDP=1.18D-04 MaxDP=5.93D-03 DE= 3.52D-04 OVMax= 7.44D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  9.20D-05    CP:  1.31D+00  1.04D+00  6.91D-01
 E= -465.625346166021     Delta-E=       -0.000571879908 Rises=F Damp=F
 DIIS: error= 1.66D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -465.625346166021     IErMin= 4 ErrMin= 1.66D-04
 ErrMax= 1.66D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.54D-05 BMatP= 2.63D-04
 IDIUse=3 WtCom= 9.98D-01 WtEn= 1.66D-03
 Coeff-Com: -0.904D-02 0.325D+00 0.169D+00 0.515D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.902D-02 0.325D+00 0.169D+00 0.515D+00
 Gap=     0.193 Goal=   None    Shift=    0.000
 RMSDP=4.36D-05 MaxDP=2.46D-03 DE=-5.72D-04 OVMax= 6.75D-04

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  2.97D-05    CP:  1.31D+00  1.04D+00  5.95D-01  8.52D-01
 E= -465.625362415971     Delta-E=       -0.000016249950 Rises=F Damp=F
 DIIS: error= 2.55D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -465.625362415971     IErMin= 5 ErrMin= 2.55D-05
 ErrMax= 2.55D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.12D-07 BMatP= 1.54D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.197D-02 0.405D-01 0.247D-01 0.148D+00 0.789D+00
 Coeff:     -0.197D-02 0.405D-01 0.247D-01 0.148D+00 0.789D+00
 Gap=     0.193 Goal=   None    Shift=    0.000
 RMSDP=1.33D-05 MaxDP=1.04D-03 DE=-1.62D-05 OVMax= 2.37D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  9.35D-06    CP:  1.31D+00  1.04D+00  6.09D-01  8.32D-01  9.41D-01
 E= -465.625362689497     Delta-E=       -0.000000273526 Rises=F Damp=F
 DIIS: error= 1.58D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -465.625362689497     IErMin= 6 ErrMin= 1.58D-05
 ErrMax= 1.58D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.68D-07 BMatP= 4.12D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.569D-03 0.288D-02 0.405D-02 0.526D-01 0.470D+00 0.471D+00
 Coeff:     -0.569D-03 0.288D-02 0.405D-02 0.526D-01 0.470D+00 0.471D+00
 Gap=     0.193 Goal=   None    Shift=    0.000
 RMSDP=4.19D-06 MaxDP=1.46D-04 DE=-2.74D-07 OVMax= 1.90D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  3.00D-06    CP:  1.31D+00  1.04D+00  6.10D-01  8.38D-01  9.37D-01
                    CP:  6.96D-01
 E= -465.625362855661     Delta-E=       -0.000000166165 Rises=F Damp=F
 DIIS: error= 2.99D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -465.625362855661     IErMin= 7 ErrMin= 2.99D-06
 ErrMax= 2.99D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.82D-09 BMatP= 1.68D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.164D-03-0.947D-03 0.467D-03 0.161D-01 0.180D+00 0.240D+00
 Coeff-Com:  0.564D+00
 Coeff:     -0.164D-03-0.947D-03 0.467D-03 0.161D-01 0.180D+00 0.240D+00
 Coeff:      0.564D+00
 Gap=     0.193 Goal=   None    Shift=    0.000
 RMSDP=1.04D-06 MaxDP=3.36D-05 DE=-1.66D-07 OVMax= 5.74D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  7.99D-07    CP:  1.31D+00  1.04D+00  6.09D-01  8.41D-01  9.43D-01
                    CP:  6.86D-01  8.25D-01
 E= -465.625362862064     Delta-E=       -0.000000006403 Rises=F Damp=F
 DIIS: error= 9.67D-07 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -465.625362862064     IErMin= 8 ErrMin= 9.67D-07
 ErrMax= 9.67D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.31D-09 BMatP= 6.82D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.251D-04-0.942D-03-0.216D-03 0.250D-02 0.470D-01 0.837D-01
 Coeff-Com:  0.341D+00 0.527D+00
 Coeff:     -0.251D-04-0.942D-03-0.216D-03 0.250D-02 0.470D-01 0.837D-01
 Coeff:      0.341D+00 0.527D+00
 Gap=     0.193 Goal=   None    Shift=    0.000
 RMSDP=2.75D-07 MaxDP=1.18D-05 DE=-6.40D-09 OVMax= 1.55D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  2.09D-07    CP:  1.31D+00  1.04D+00  6.10D-01  8.40D-01  9.44D-01
                    CP:  6.88D-01  8.40D-01  8.00D-01
 E= -465.625362863351     Delta-E=       -0.000000001286 Rises=F Damp=F
 DIIS: error= 1.74D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -465.625362863351     IErMin= 9 ErrMin= 1.74D-07
 ErrMax= 1.74D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.52D-11 BMatP= 1.31D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.389D-05-0.343D-03-0.114D-03-0.436D-03 0.469D-02 0.156D-01
 Coeff-Com:  0.103D+00 0.238D+00 0.640D+00
 Coeff:      0.389D-05-0.343D-03-0.114D-03-0.436D-03 0.469D-02 0.156D-01
 Coeff:      0.103D+00 0.238D+00 0.640D+00
 Gap=     0.193 Goal=   None    Shift=    0.000
 RMSDP=1.01D-07 MaxDP=3.80D-06 DE=-1.29D-09 OVMax= 1.62D-06

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  6.89D-08    CP:  1.31D+00  1.04D+00  6.10D-01  8.40D-01  9.44D-01
                    CP:  6.92D-01  8.47D-01  7.84D-01  7.20D-01
 E= -465.625362863343     Delta-E=        0.000000000008 Rises=F Damp=F
 DIIS: error= 5.14D-08 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin= 9 EnMin= -465.625362863351     IErMin=10 ErrMin= 5.14D-08
 ErrMax= 5.14D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.99D-12 BMatP= 5.52D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.312D-05-0.104D-03-0.279D-04-0.343D-03-0.413D-03 0.232D-02
 Coeff-Com:  0.266D-01 0.748D-01 0.275D+00 0.622D+00
 Coeff:      0.312D-05-0.104D-03-0.279D-04-0.343D-03-0.413D-03 0.232D-02
 Coeff:      0.266D-01 0.748D-01 0.275D+00 0.622D+00
 Gap=     0.193 Goal=   None    Shift=    0.000
 RMSDP=2.35D-08 MaxDP=9.50D-07 DE= 7.73D-12 OVMax= 3.48D-07

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.40D-08    CP:  1.31D+00  1.04D+00  6.10D-01  8.40D-01  9.44D-01
                    CP:  6.92D-01  8.47D-01  7.88D-01  7.55D-01  7.67D-01
 E= -465.625362863400     Delta-E=       -0.000000000057 Rises=F Damp=F
 DIIS: error= 1.77D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -465.625362863400     IErMin=11 ErrMin= 1.77D-08
 ErrMax= 1.77D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.42D-13 BMatP= 2.99D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.112D-05-0.244D-04-0.697D-06-0.133D-03-0.475D-03 0.112D-03
 Coeff-Com:  0.564D-02 0.194D-01 0.849D-01 0.284D+00 0.607D+00
 Coeff:      0.112D-05-0.244D-04-0.697D-06-0.133D-03-0.475D-03 0.112D-03
 Coeff:      0.564D-02 0.194D-01 0.849D-01 0.284D+00 0.607D+00
 Gap=     0.193 Goal=   None    Shift=    0.000
 RMSDP=4.33D-09 MaxDP=2.22D-07 DE=-5.68D-11 OVMax= 9.88D-08

 SCF Done:  E(RB3LYP) =  -465.625362863     A.U. after   11 cycles
            NFock= 11  Conv=0.43D-08     -V/T= 2.0116
 KE= 4.602687148417D+02 PE=-2.307427245344D+03 EE= 7.668038690644D+02
 Leave Link  502 at Thu Aug 12 20:42:40 2021, MaxMem=  5368709120 cpu:             934.1 elap:             117.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   351
 NBasis=   351 NAE=    42 NBE=    42 NFC=     0 NFV=     0
 NROrb=    351 NOA=    42 NOB=    42 NVA=   309 NVB=   309

 **** Warning!!: The largest alpha MO coefficient is  0.54676368D+02

 Leave Link  801 at Thu Aug 12 20:42:41 2021, MaxMem=  5368709120 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         8180 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5368709120 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          27
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 2.16D-13 8.33D-09 XBig12= 1.00D+00 7.19D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 2.16D-13 8.33D-09 XBig12= 2.34D-01 9.77D-02.
     11 vectors produced by pass  2 Test12= 2.16D-13 8.33D-09 XBig12= 4.28D-02 7.26D-02.
     11 vectors produced by pass  3 Test12= 2.16D-13 8.33D-09 XBig12= 4.72D-03 2.22D-02.
     11 vectors produced by pass  4 Test12= 2.16D-13 8.33D-09 XBig12= 3.28D-04 3.86D-03.
     11 vectors produced by pass  5 Test12= 2.16D-13 8.33D-09 XBig12= 1.33D-05 6.40D-04.
     11 vectors produced by pass  6 Test12= 2.16D-13 8.33D-09 XBig12= 3.17D-07 8.57D-05.
     11 vectors produced by pass  7 Test12= 2.16D-13 8.33D-09 XBig12= 4.85D-09 1.53D-05.
     11 vectors produced by pass  8 Test12= 2.16D-13 8.33D-09 XBig12= 9.12D-11 1.95D-06.
     10 vectors produced by pass  9 Test12= 2.16D-13 8.33D-09 XBig12= 1.13D-12 1.50D-07.
      3 vectors produced by pass 10 Test12= 2.16D-13 8.33D-09 XBig12= 1.22D-14 1.45D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 5.68D-14
 Solved reduced A of dimension   112 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.169697D+03
      2 -0.573224D+01  0.119124D+03
      3  0.780514D+01 -0.428388D+01  0.102844D+03
 Isotropic polarizability for W=    0.085645      130.56 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1   0.596731D+02 -0.156710D+02  0.415860D+02
      2  -0.164538D+02  0.183052D+02 -0.140087D+02
      3  -0.432193D+02 -0.263420D+01 -0.275773D+02
      4   0.832292D+01 -0.345345D+02 -0.386919D+02
      5   0.333086D+02 -0.388649D+02 -0.767763D+02
      6  -0.170128D+02  0.227432D+01  0.240627D+02
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1   0.451924D+01 -0.344651D+01 -0.879038D+01
      2   0.492046D+02 -0.170912D+02 -0.294860D+02
      3  -0.349261D+01  0.192924D+02  0.140191D+02
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1  -0.172963D+00  0.162830D+02 -0.266969D+02
      2   0.827741D+01 -0.216792D+02 -0.335570D+02
      3   0.239939D+02  0.180807D+02  0.218521D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1  -0.157925D+01 -0.836946D+01  0.273287D+01
      2  -0.836946D+01  0.384941D+01  0.613863D+00
      3   0.273287D+01  0.613863D+00 -0.822933D+00
 OR G Eigenvalues:    -8.5291    -0.0748    10.0511  Iso=    -0.4824
 Eigenvectors:
   (1)   0.777731   0.541664  -0.318958
   (2)   0.196714   0.272203   0.941918
   (3)  -0.597024   0.795302  -0.105148
 w=    0.085645 a.u., Optical Rotation Beta=     -0.4824 au.
 Molar Mass =    152.2358 grams/mole, [Alpha] ( 5320.0 A) =     -150.29 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   61776 ScalPx= 4.76D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   61776 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.71D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 3.60D-14 2.78D-09 XBig12= 1.00D+00 5.91D-01.
     30 vectors produced by pass  1 Test12= 3.60D-14 2.78D-09 XBig12= 8.58D-02 5.14D-02.
     30 vectors produced by pass  2 Test12= 3.60D-14 2.78D-09 XBig12= 1.62D-03 6.20D-03.
     30 vectors produced by pass  3 Test12= 3.60D-14 2.78D-09 XBig12= 2.77D-05 6.29D-04.
     30 vectors produced by pass  4 Test12= 3.60D-14 2.78D-09 XBig12= 1.99D-07 5.49D-05.
     30 vectors produced by pass  5 Test12= 3.60D-14 2.78D-09 XBig12= 1.06D-09 2.73D-06.
     30 vectors produced by pass  6 Test12= 3.60D-14 2.78D-09 XBig12= 3.82D-12 1.75D-07.
     14 vectors produced by pass  7 Test12= 3.60D-14 2.78D-09 XBig12= 7.17D-15 7.64D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 1.55D-15
 Solved reduced A of dimension   224 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   61776 ScalPx= 2.41D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   61776 ScalPx= 2.41D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   61776 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 2.01D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.169697D+03 -0.573224D+01  0.780514D+01
      2  -0.573224D+01  0.119124D+03 -0.428388D+01
      3   0.780514D+01 -0.428388D+01  0.102844D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.451924D+01 -0.344651D+01 -0.879038D+01
      2   0.492046D+02 -0.170912D+02 -0.294860D+02
      3  -0.349261D+01  0.192924D+02  0.140191D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.596731D+02 -0.156710D+02  0.415860D+02
      2  -0.164538D+02  0.183052D+02 -0.140087D+02
      3  -0.432193D+02 -0.263420D+01 -0.275773D+02
      4   0.832292D+01 -0.345345D+02 -0.386919D+02
      5   0.333086D+02 -0.388649D+02 -0.767763D+02
      6  -0.170128D+02  0.227432D+01  0.240627D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.107093D+01 -0.368371D+00 -0.474109D+01  0.922785D+00  0.681072D+00
      2  -0.368371D+00  0.619078D+00  0.261192D+01  0.681072D+00 -0.347864D+01
      3  -0.474109D+01  0.261192D+01  0.161083D+01  0.245762D+01  0.319261D+01
                 6             7             8             9            10 
      1   0.245762D+01 -0.604356D+01  0.279914D+01  0.185105D+01 -0.213739D+02
      2   0.319261D+01  0.279914D+01  0.343314D+01 -0.194248D+01  0.268688D+01
      3  -0.794058D+00  0.185105D+01 -0.194248D+01 -0.238375D+01  0.531747D+01
                11            12            13            14            15 
      1   0.268688D+01  0.531747D+01  0.122703D+02 -0.328955D+01 -0.288763D+01
      2  -0.218095D+01 -0.235570D+01 -0.328955D+01  0.418423D+01 -0.352783D+01
      3  -0.235570D+01 -0.117838D+01 -0.288763D+01 -0.352783D+01  0.192275D+01
                16            17            18            19            20 
      1   0.226741D+02 -0.386700D+01 -0.379193D+01  0.400080D+02 -0.407434D+01
      2  -0.386700D+01 -0.277219D+01  0.183602D+01 -0.407434D+01  0.286138D+01
      3  -0.379193D+01  0.183602D+01  0.625637D+00 -0.560860D+00  0.976364D+00
                21            22            23            24            25 
      1  -0.560860D+00 -0.155706D+02  0.366471D+01  0.182309D+01 -0.683344D+01
      2   0.976364D+00  0.366471D+01  0.152049D+01 -0.178935D+01  0.244798D+01
      3   0.224604D+01  0.182309D+01 -0.178935D+01 -0.250794D+01  0.617662D+01
                26            27            28            29            30 
      1   0.244798D+01  0.617662D+01 -0.540493D+02  0.490488D+01 -0.483540D+01
      2  -0.261675D+01 -0.261550D+01  0.490488D+01 -0.219730D+01 -0.215939D-02
      3  -0.261550D+01  0.525631D+01 -0.483540D+01 -0.215939D-02 -0.199908D+01
                31            32            33            34            35 
      1   0.152781D+02 -0.521577D+01  0.116713D+01 -0.172714D+02 -0.134291D+00
      2  -0.521577D+01 -0.161453D+01  0.127023D+01 -0.134291D+00  0.152263D+01
      3   0.116713D+01  0.127023D+01  0.888369D+00 -0.680322D+01  0.737166D+00
                36            37            38            39            40 
      1  -0.680322D+01  0.510387D+02 -0.659944D+01  0.730922D+01 -0.106591D+02
      2   0.737166D+00 -0.659944D+01  0.126298D+01 -0.448221D+00  0.399141D+01
      3  -0.511355D+01  0.730922D+01 -0.448221D+00  0.264251D+01 -0.672297D+00
                41            42            43            44            45 
      1   0.399141D+01 -0.672297D+00  0.172454D+02 -0.110565D+01  0.578988D+01
      2   0.230635D+01 -0.204754D+01 -0.110565D+01 -0.226504D+01 -0.871656D+00
      3  -0.204754D+01 -0.118777D+01  0.578988D+01 -0.871656D+00  0.280699D+01
                46            47            48            49            50 
      1  -0.385034D+02  0.668431D+01 -0.797179D+01  0.967152D+01 -0.336296D+01
      2   0.668431D+01 -0.193880D+01  0.222389D+01 -0.336296D+01 -0.198875D+01
      3  -0.797179D+01  0.222389D+01 -0.188958D+01  0.364546D+01  0.296285D+00
                51            52            53            54            55 
      1   0.364546D+01 -0.135654D+02  0.333312D+01 -0.280553D+01  0.334097D+02
      2   0.296285D+00  0.333312D+01  0.452684D+00  0.885159D+00 -0.620714D+01
      3   0.118319D+01 -0.280553D+01  0.885159D+00 -0.125275D+01  0.631191D+01
                56            57            58            59            60 
      1  -0.620714D+01  0.631191D+01 -0.232760D+02  0.673665D+01 -0.456313D+01
      2   0.296778D+01 -0.145108D+01  0.673665D+01 -0.509135D+01  0.206047D+01
      3  -0.145108D+01  0.257899D+01 -0.456313D+01  0.206047D+01 -0.215068D+01
                61            62            63            64            65 
      1   0.154797D+02 -0.217623D+01  0.701762D+01  0.383540D+01 -0.438998D+00
      2  -0.217623D+01  0.114504D+01 -0.269347D+01 -0.438998D+00  0.129896D+01
      3   0.701762D+01 -0.269347D+01  0.473262D+01 -0.445301D+01  0.267518D+01
                66            67            68            69            70 
      1  -0.445301D+01 -0.316052D+00  0.256780D+01  0.245983D+01 -0.821250D+01
      2   0.267518D+01  0.256780D+01 -0.129259D+01  0.473461D+01  0.261747D+01
      3   0.842249D+00  0.245983D+01  0.473461D+01 -0.999729D+00  0.303117D+01
                71            72            73            74            75 
      1   0.261747D+01  0.303117D+01  0.687807D+01  0.216208D+01 -0.365885D+01
      2   0.431824D+01 -0.154783D+01  0.216208D+01  0.494567D+00 -0.175738D+01
      3  -0.154783D+01  0.124821D+01 -0.365885D+01 -0.175738D+01 -0.201397D+01
                76            77            78            79            80 
      1   0.354115D+01  0.326683D+00 -0.211237D+01 -0.493439D+01 -0.101594D+01
      2   0.326683D+00 -0.504613D+01  0.317094D+01 -0.101594D+01  0.294977D+01
      3  -0.211237D+01  0.317094D+01  0.792321D+00 -0.202306D+01  0.139559D+01
                81            82            83            84            85 
      1  -0.202306D+01  0.632309D+00  0.154389D+01  0.975293D+00  0.523663D+00
      2   0.139559D+01  0.154389D+01 -0.248068D+01  0.268850D+01 -0.251843D+01
      3  -0.157197D+01  0.975293D+00  0.268850D+01  0.269080D+01  0.229142D+01
                86            87            88            89            90 
      1  -0.251843D+01  0.229142D+01 -0.625494D+00  0.361890D+01  0.270965D+01
      2   0.593015D+00  0.161355D+01  0.361890D+01  0.160188D+01 -0.718102D+00
      3   0.161355D+01 -0.465633D+00  0.270965D+01 -0.718102D+00 -0.133629D+01
                91            92            93            94            95 
      1  -0.897050D+01 -0.199917D+01 -0.218757D+01  0.221964D+00  0.355914D+01
      2  -0.199917D+01  0.362644D+01 -0.240588D+00  0.355914D+01  0.576666D+00
      3  -0.218757D+01 -0.240588D+00  0.159840D+01 -0.308136D+00 -0.155264D+01
                96            97            98            99           100 
      1  -0.308136D+00 -0.341262D+01 -0.441028D+00  0.270503D+00 -0.875530D+01
      2  -0.155264D+01 -0.441028D+00 -0.162281D+01 -0.212365D+01 -0.293414D+01
      3  -0.131970D+01  0.270503D+00 -0.212365D+01  0.446478D+01  0.360306D+01
               101           102           103           104           105 
      1  -0.293414D+01  0.360306D+01 -0.139137D+01 -0.199740D+01  0.982729D+00
      2  -0.239797D+01  0.135500D+01 -0.199740D+01 -0.140329D+01  0.758939D+00
      3   0.135500D+01 -0.223535D+01  0.982729D+00  0.758939D+00 -0.796623D+00
               106           107           108           109           110 
      1   0.993424D+00  0.909691D+00 -0.169215D+01  0.173398D+01 -0.389439D+00
      2   0.909691D+00  0.448491D+00 -0.101141D+01 -0.389439D+00  0.970209D+00
      3  -0.169215D+01 -0.101141D+01  0.201658D+01  0.152352D+01 -0.170632D+00
               111           112           113           114           115 
      1   0.152352D+01  0.436674D+00  0.149011D+00  0.132894D+00  0.809591D+00
      2  -0.170632D+00  0.149011D+00 -0.260100D-01  0.549255D+00 -0.469229D-01
      3   0.304955D+01  0.132894D+00  0.549255D+00 -0.274645D+00  0.130050D+01
               116           117           118           119           120 
      1  -0.469229D-01  0.130050D+01 -0.597404D+01  0.969979D+00 -0.187314D+01
      2   0.121814D+01 -0.104166D+01  0.969979D+00 -0.513123D+00  0.173694D+00
      3  -0.104166D+01  0.637318D+01 -0.187314D+01  0.173694D+00 -0.194385D+01
               121           122           123           124           125 
      1   0.562754D+01 -0.950453D+00  0.425920D+00 -0.290648D+01 -0.117807D+00
      2  -0.950453D+00  0.430584D+00 -0.118598D+01 -0.117807D+00 -0.956982D+00
      3   0.425920D+00 -0.118598D+01  0.144913D+01 -0.370939D+01  0.114336D+01
               126           127           128           129           130 
      1  -0.370939D+01  0.302617D+01 -0.167392D+01 -0.360835D+00 -0.908848D+00
      2   0.114336D+01 -0.167392D+01  0.361720D+01 -0.876676D-01  0.185977D+01
      3  -0.912868D+01 -0.360835D+00 -0.876676D-01  0.404301D+00 -0.194862D+00
               131           132           133           134           135 
      1   0.185977D+01 -0.194862D+00  0.504948D+00 -0.471040D+00 -0.223332D-02
      2  -0.563268D+01 -0.241364D+00 -0.471040D+00  0.741857D+00 -0.865367D+00
      3  -0.241364D+00 -0.702443D+00 -0.223332D-02 -0.865367D+00  0.267940D+00
               136           137           138           139           140 
      1  -0.392233D+01 -0.247320D+01 -0.172903D+01 -0.150511D+01 -0.181909D+01
      2  -0.247320D+01 -0.252198D+01 -0.166805D+01 -0.181909D+01 -0.340325D+01
      3  -0.172903D+01 -0.166805D+01 -0.217351D+01 -0.117773D+01 -0.194487D+01
               141           142           143           144           145 
      1  -0.117773D+01 -0.216991D+01 -0.187747D+01 -0.193105D+01  0.521273D+00
      2  -0.194487D+01 -0.187747D+01 -0.270771D+01 -0.208699D+01  0.102285D+01
      3  -0.150490D+01 -0.193105D+01 -0.208699D+01 -0.289108D+01  0.666289D-01
               146           147           148           149           150 
      1   0.102285D+01  0.666289D-01  0.691543D+00  0.224937D+00 -0.294101D+00
      2   0.570234D+00 -0.436677D+00  0.224937D+00  0.792742D+01 -0.160870D+01
      3  -0.436677D+00 -0.629695D-01 -0.294101D+00 -0.160870D+01  0.155087D+01
               151           152           153           154           155 
      1  -0.246380D+00 -0.315210D+00 -0.613467D-01  0.557486D+01 -0.241949D+00
      2  -0.315210D+00 -0.385932D+01  0.167025D+01 -0.241949D+00  0.140813D+01
      3  -0.613467D-01  0.167025D+01 -0.137790D+01  0.195407D+01  0.382644D+00
               156           157           158           159           160 
      1   0.195407D+01 -0.120037D+01  0.754259D+00 -0.169132D+00  0.154211D+01
      2   0.382644D+00  0.754259D+00 -0.136248D+00 -0.124934D+00  0.133605D+00
      3   0.202104D+01 -0.169132D+00 -0.124934D+00 -0.465667D+00  0.146363D+01
               161           162           163           164           165 
      1   0.133605D+00  0.146363D+01 -0.446816D+01  0.195410D+01  0.318815D+01
      2   0.228926D+00  0.476645D+00  0.195410D+01 -0.231280D+01 -0.189763D+01
      3   0.476645D+00  0.240847D+01  0.318815D+01 -0.189763D+01 -0.326706D+01
               166           167           168           169           170 
      1   0.427387D+00 -0.126688D+01 -0.951321D+00  0.261695D+01 -0.159700D+01
      2  -0.126688D+01  0.192571D+01  0.109377D+01 -0.159700D+01  0.169459D+01
      3  -0.951321D+00  0.109377D+01  0.105174D+01 -0.302350D+01  0.247719D+01
               171           172           173           174           175 
      1  -0.302350D+01 -0.770461D+01  0.202101D+01  0.243892D+01  0.205482D+01
      2   0.247719D+01  0.202101D+01 -0.130341D+01 -0.784521D+00 -0.199023D+01
      3   0.504506D+01  0.243892D+01 -0.784521D+00 -0.169443D+01 -0.689863D+00
               176           177           178           179           180 
      1  -0.199023D+01 -0.689863D+00  0.693264D+01 -0.179529D+01 -0.266722D+01
      2   0.131309D+01  0.186807D+00 -0.179529D+01  0.998321D+00  0.936282D+00
      3   0.186807D+00  0.636382D+00 -0.266722D+01  0.936282D+00  0.234006D+01
               181           182           183           184           185 
      1  -0.259155D+01 -0.140915D+01 -0.103867D+01 -0.322271D+01 -0.169653D+01
      2  -0.140915D+01 -0.105530D+01 -0.978164D+00 -0.169653D+01 -0.315248D+01
      3  -0.103867D+01 -0.978164D+00 -0.119657D+01 -0.181395D+01 -0.209047D+01
               186           187           188           189           190 
      1  -0.181395D+01 -0.148597D+01 -0.109737D+01 -0.210785D+01 -0.355235D+00
      2  -0.209047D+01 -0.109737D+01 -0.195726D+01 -0.128872D+01  0.653528D+00
      3  -0.206140D+01 -0.210785D+01 -0.128872D+01 -0.283879D+01 -0.149420D+00
               191           192           193           194           195 
      1   0.653528D+00 -0.149420D+00  0.189352D+01 -0.171191D+01  0.768120D+00
      2   0.356213D+00 -0.399262D+00 -0.171191D+01  0.531582D+01 -0.324761D+01
      3  -0.399262D+00  0.322279D+00  0.768120D+00 -0.324761D+01  0.277166D+01
               196           197           198           199           200 
      1  -0.607599D+00  0.664505D+00 -0.136397D+01 -0.175078D+00  0.139178D+01
      2   0.664505D+00 -0.323767D+01  0.275256D+01  0.139178D+01  0.914176D+00
      3  -0.136397D+01  0.275256D+01 -0.360955D+01 -0.754803D+00 -0.267796D+00
               201           202           203           204           205 
      1  -0.754803D+00  0.147144D+01  0.111733D+01 -0.454517D-01 -0.211761D+01
      2  -0.267796D+00  0.111733D+01  0.535518D+01 -0.190090D+01  0.319395D+00
      3  -0.791110D-01 -0.454517D-01 -0.190090D+01  0.144493D+01  0.812846D+00
               206           207           208           209           210 
      1   0.319395D+00  0.812846D+00  0.197437D+00 -0.111383D+01  0.430629D+00
      2  -0.165040D+01  0.105382D+01 -0.111383D+01 -0.927059D-01 -0.941567D-02
      3   0.105382D+01 -0.664827D+00  0.430629D+00 -0.941567D-02  0.128558D+00
               211           212           213           214           215 
      1  -0.222838D+01 -0.538477D+00 -0.815571D-01  0.778147D+00 -0.147845D+00
      2  -0.538477D+00 -0.623510D+01  0.151243D+01 -0.147845D+00  0.194930D+01
      3  -0.815571D-01  0.151243D+01 -0.120199D+01 -0.229988D+00 -0.106354D+01
               216           217           218           219           220 
      1  -0.229988D+00  0.135188D+01  0.219232D+00 -0.511019D+00  0.115472D+01
      2  -0.106354D+01  0.219232D+00 -0.885332D+00  0.186015D+00  0.126523D+00
      3   0.710028D+00 -0.511019D+00  0.186015D+00 -0.534361D+00  0.250152D-01
               221           222           223           224           225 
      1   0.126523D+00  0.250152D-01 -0.222920D+01 -0.104288D+01  0.992774D+00
      2   0.115247D+01 -0.957592D+00 -0.104288D+01 -0.213032D+01  0.213819D+01
      3  -0.957592D+00  0.985355D+00  0.992774D+00  0.213819D+01 -0.730915D+01
               226           227           228           229           230 
      1   0.102825D+02  0.286809D+01  0.683732D+00  0.139183D+01  0.111071D+01
      2   0.286809D+01  0.174735D+01  0.188785D+00  0.111071D+01  0.836926D+00
      3   0.683732D+00  0.188785D+00  0.116576D+01  0.166434D+00  0.345639D+00
               231           232           233           234           235 
      1   0.166434D+00  0.165554D+01  0.553495D+00  0.119111D+01 -0.576072D+00
      2   0.345639D+00  0.553495D+00  0.669609D+00  0.596371D+00  0.840472D+00
      3   0.272290D+00  0.119111D+01  0.596371D+00  0.121725D+00  0.102289D+01
               236           237           238           239           240 
      1   0.840472D+00  0.102289D+01  0.269955D+01 -0.512320D+00 -0.384124D+00
      2  -0.283433D+01 -0.507052D+00 -0.512320D+00  0.506310D+01  0.143423D+01
      3  -0.507052D+00 -0.103309D+01 -0.384124D+00  0.143423D+01  0.148420D+01
               241           242           243 
      1   0.142939D+01 -0.148334D+00 -0.394898D+00
      2  -0.148334D+00  0.240383D+01  0.177177D+01
      3  -0.394898D+00  0.177177D+01  0.106067D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.110323D+02 -0.528412D+01  0.415257D+00 -0.212716D+01 -0.132003D+02
      2   0.151744D+02 -0.285848D+01  0.545073D+01 -0.634040D+01 -0.465196D+01
      3  -0.665685D+01 -0.361566D+01 -0.577443D+01  0.517514D+01 -0.518930D+01
                 6             7             8             9            10 
      1   0.427680D+01 -0.990647D+00  0.125528D+02  0.317680D+01 -0.120088D+02
      2  -0.158944D+01 -0.330822D+00 -0.881901D+00  0.214394D+01 -0.376171D+02
      3   0.101290D+02 -0.474306D+01  0.122351D+02 -0.195532D+00  0.552668D+01
                11            12            13            14            15 
      1   0.361504D+01  0.193984D+01  0.176973D+01  0.592956D+01 -0.810069D+01
      2   0.852400D+01  0.631233D+01  0.221823D+02  0.651096D+01 -0.529861D+01
      3  -0.808562D+01 -0.373386D+01 -0.804744D+00  0.707061D+01 -0.120063D+02
                16            17            18            19            20 
      1   0.110988D+02  0.145916D+00 -0.122845D-01  0.123868D+02 -0.421618D+01
      2   0.208569D+02 -0.488829D+01 -0.506574D+01  0.407582D+02 -0.556644D+01
      3  -0.413193D+01 -0.131777D+02  0.307697D+01 -0.693293D+01 -0.140977D+01
                21            22            23            24            25 
      1  -0.301871D+01 -0.852091D+01 -0.552641D+01  0.224289D+00 -0.130090D+02
      2   0.115564D+01 -0.217869D+02  0.544196D+01  0.464773D+01 -0.210688D+02
      3   0.125134D+01  0.122085D+02 -0.979804D-01 -0.211649D+01 -0.654373D+00
                26            27            28            29            30 
      1   0.741289D+01  0.251711D+01 -0.126469D+02  0.141335D+01  0.105136D+01
      2   0.509363D+01  0.458402D+01 -0.380194D+02  0.182753D+01 -0.751687D+01
      3  -0.456706D+00 -0.261984D+01  0.822931D+01  0.366225D+01  0.313154D+01
                31            32            33            34            35 
      1   0.325251D+01  0.339819D+01 -0.271959D+01  0.324588D+01  0.211420D+01
      2   0.865815D+01 -0.311160D+01  0.152290D+01 -0.480575D+02  0.354381D+01
      3   0.191466D+02 -0.236504D+01  0.153365D+01  0.106089D+02  0.680479D+00
                36            37            38            39            40 
      1  -0.742421D+00  0.106821D+02 -0.148474D+01 -0.247489D+01 -0.948792D+01
      2  -0.115609D+02  0.432139D+02 -0.367216D+01  0.135023D+02 -0.551147D+01
      3   0.146767D+01  0.723646D+00 -0.687348D+01 -0.219380D+01  0.824543D+01
                41            42            43            44            45 
      1   0.497746D+00 -0.208501D+01 -0.470640D+01  0.143837D+01 -0.892066D+00
      2  -0.149418D+01  0.169143D+01  0.162725D+02  0.240932D+00  0.791351D+01
      3  -0.111956D+02  0.603937D+01 -0.784546D+01  0.421220D+01 -0.174937D+01
                46            47            48            49            50 
      1  -0.928730D+01 -0.110102D+01  0.876134D+01 -0.100118D+01  0.850957D+01
      2  -0.266120D+02  0.410124D+01 -0.194904D+02  0.345597D+01 -0.743112D+00
      3  -0.768333D+01  0.977748D+01  0.353606D+01  0.175299D+02  0.595676D+01
                51            52            53            54            55 
      1   0.269625D+01  0.229568D+01  0.137168D+02 -0.430235D+01  0.513265D+01
      2   0.422070D+01 -0.297569D+02 -0.890937D+00 -0.102362D+02  0.219413D+02
      3   0.126009D+01  0.124288D+01  0.548698D+01 -0.121725D+01  0.193081D+01
                56            57            58            59            60 
      1   0.163964D+01 -0.189196D+01 -0.214713D+01 -0.299485D+01 -0.431910D+01
      2  -0.412298D+01  0.193590D+02 -0.145298D+02  0.645077D+01 -0.124566D+02
      3  -0.172514D+02 -0.244779D+00 -0.557216D+01  0.162427D+02 -0.341521D+01
                61            62            63            64            65 
      1   0.375168D+01  0.694116D-01  0.259816D+01  0.395172D+01 -0.352465D+01
      2   0.185951D+02 -0.576664D+01  0.175706D+02  0.166087D+02 -0.100250D+02
      3  -0.115010D+01 -0.832745D+01  0.443219D+01  0.295162D+01  0.276484D+01
                66            67            68            69            70 
      1  -0.375978D+01 -0.508992D+01 -0.376233D+01 -0.431266D+01 -0.702089D+01
      2  -0.610628D+01 -0.887139D+01 -0.166115D+02  0.567097D+01 -0.210900D+02
      3   0.675029D+01  0.142327D+02 -0.311323D+01  0.216438D+02  0.592015D+01
                71            72            73            74            75 
      1   0.672704D+00 -0.601668D+00 -0.811813D+00 -0.346933D+01 -0.754909D+01
      2   0.860260D+01 -0.367090D+01  0.641916D+01 -0.175426D+01  0.132654D+02
      3   0.205032D+02 -0.345182D+01  0.554938D-02 -0.524085D+01 -0.228749D+00
                76            77            78            79            80 
      1   0.168551D+01 -0.304068D+01  0.553861D+01 -0.479599D+01  0.111600D+02
      2   0.397113D+01 -0.714166D+01  0.107240D+01  0.227200D+01 -0.940373D+00
      3   0.181719D+01 -0.129367D+02  0.113257D+02  0.464169D+00  0.111567D+02
                81            82            83            84            85 
      1   0.126355D+01  0.313554D+00  0.104543D+02  0.787904D+01  0.141867D+02
      2   0.793722D+01  0.670416D+00 -0.181657D+01 -0.556527D+00 -0.367806D+01
      3   0.833150D+01  0.311436D+01 -0.131687D+02  0.204680D+01 -0.439797D+01
                86            87            88            89            90 
      1   0.472131D+01 -0.724106D+01  0.555208D+01 -0.182381D+01 -0.401011D+01
      2  -0.344421D+01  0.185505D+01 -0.878522D+01  0.265977D+01  0.254635D+01
      3   0.731671D+01 -0.346640D+01  0.315911D+01 -0.710407D+01 -0.951384D+01
                91            92            93            94            95 
      1   0.306011D+01 -0.329464D+01 -0.515925D+01  0.580052D+00  0.332694D+01
      2  -0.107723D+02 -0.103244D+01  0.774307D+01 -0.960655D-01 -0.408159D+01
      3  -0.136150D+01 -0.209270D+02 -0.289994D+01 -0.867376D+01  0.370268D+01
                96            97            98            99           100 
      1  -0.127298D+01  0.523285D+01  0.104710D+02 -0.822583D+01  0.125664D+01
      2  -0.305300D+01 -0.474409D+01 -0.883389D+01  0.161676D+02  0.111324D+01
      3   0.579575D+01 -0.143600D+01  0.797623D+01  0.103694D+02  0.407445D+01
               101           102           103           104           105 
      1  -0.251172D+01 -0.212413D+01 -0.632325D+00 -0.721307D+00 -0.174573D+01
      2  -0.704726D+00  0.418759D+01  0.136247D+01 -0.986542D-01  0.117979D+01
      3  -0.535669D+01 -0.766468D+00 -0.667433D+00 -0.160340D+01 -0.110217D+00
               106           107           108           109           110 
      1  -0.923620D+00  0.423073D+00  0.160743D+01  0.105474D+01  0.256063D+01
      2  -0.198720D+01  0.120252D+01 -0.373056D+01 -0.657231D+01  0.114082D+01
      3  -0.106559D+01  0.606374D+00 -0.406552D+00 -0.352160D+01  0.137526D+01
               111           112           113           114           115 
      1   0.399264D+01  0.608643D+00  0.137541D+01 -0.759940D+00  0.206259D+01
      2  -0.846060D+01  0.705542D+00 -0.178574D+01  0.639496D-01 -0.864026D+01
      3  -0.274146D+01  0.148145D+01 -0.164866D-01  0.785464D+00 -0.266456D+01
               116           117           118           119           120 
      1   0.254179D+01  0.662661D+01 -0.583486D+00  0.110292D+01 -0.299194D+00
      2   0.207096D+01 -0.160534D+02 -0.580987D+01  0.107994D+01  0.836158D+00
      3   0.177730D+01 -0.459679D+01  0.142976D+01 -0.167774D+01  0.742765D+00
               121           122           123           124           125 
      1   0.286687D+01 -0.522495D+00  0.855628D+00  0.239738D+01  0.479108D+01
      2   0.628066D+01 -0.347730D+00 -0.940853D+00 -0.287621D+01 -0.839979D+00
      3   0.882786D+00  0.429161D-01 -0.104820D+01  0.635233D+00 -0.103340D+01
               126           127           128           129           130 
      1  -0.251616D+01  0.981788D+00 -0.240308D+01  0.226490D+01 -0.930707D+00
      2   0.414051D+01  0.298417D+00  0.102794D+00  0.357693D+00  0.966806D+00
      3   0.150753D+01 -0.152400D+02  0.836175D+01  0.654074D+00  0.100478D+02
               131           132           133           134           135 
      1   0.207886D+01 -0.365266D+01  0.781926D+00 -0.914403D+00  0.140057D+01
      2   0.273832D+00 -0.455039D+00 -0.101503D+01  0.851719D+00 -0.456445D+00
      3  -0.128247D+02 -0.176045D+00 -0.217187D+01  0.259504D+01 -0.150333D+01
               136           137           138           139           140 
      1  -0.275534D+01 -0.202495D+01 -0.513050D+01 -0.158906D+01 -0.231068D+01
      2  -0.137761D+01  0.902761D+00  0.312900D+01  0.430505D+00  0.128762D+01
      3   0.496700D+01 -0.775901D+00  0.134146D+01  0.257217D+01 -0.254543D+01
               141           142           143           144           145 
      1  -0.325792D+01 -0.359822D+01 -0.107393D+01 -0.596446D+01  0.977368D+00
      2   0.200899D+01 -0.707679D-01  0.184238D+01  0.295546D+01 -0.986615D+00
      3  -0.214157D+00  0.274721D+01 -0.790503D+00  0.135464D+01  0.386660D+01
               146           147           148           149           150 
      1   0.187751D+01 -0.972661D+00  0.100662D+01  0.122655D+02 -0.797411D+01
      2  -0.425053D+00  0.677092D+00 -0.577901D+00  0.604603D+00 -0.120743D+01
      3   0.206743D+01 -0.972722D+00  0.504654D+01  0.140211D+02 -0.323508D+01
               151           152           153           154           155 
      1  -0.355816D+00 -0.627421D+01  0.610947D+01 -0.458067D+01  0.265231D+01
      2  -0.573359D+00 -0.134119D+01  0.153854D+01 -0.146984D+02  0.549161D+00
      3  -0.307074D+01 -0.788658D+01  0.289181D+01  0.130853D+02 -0.698738D+00
               156           157           158           159           160 
      1  -0.361181D+01  0.171869D+01 -0.839199D+00 -0.248392D+00 -0.309042D+01
      2  -0.385417D+01  0.292470D+01 -0.121762D+01  0.786993D+00 -0.720189D+01
      3   0.451158D+01 -0.860422D-01  0.123853D+01 -0.723396D+00  0.405339D+01
               161           162           163           164           165 
      1   0.962169D+00 -0.343485D+01 -0.403924D+01 -0.482201D-01  0.486013D+01
      2  -0.654516D+00 -0.467226D+01 -0.495687D+00  0.198443D+01  0.393636D+01
      3  -0.894797D+00  0.372978D+01 -0.388927D+01 -0.298895D+01  0.167832D+01
               166           167           168           169           170 
      1   0.618283D+00  0.293926D+00 -0.241608D+01  0.402662D+01 -0.826582D+00
      2  -0.774756D+00 -0.552531D+00 -0.609283D+00 -0.188454D+01 -0.229853D+01
      3   0.966683D+00  0.161140D+01 -0.337380D+00  0.434111D+01  0.799277D+00
               171           172           173           174           175 
      1  -0.734293D+01 -0.360934D+01  0.915941D+00  0.265261D+01  0.141373D+01
      2  -0.613834D+01 -0.128356D+02  0.438199D+01  0.106457D+02  0.379112D+01
      3  -0.919734D+00 -0.188533D+00 -0.576384D+01 -0.105853D+01 -0.408880D+01
               176           177           178           179           180 
      1  -0.509630D+00 -0.158403D+01  0.339102D+01  0.159115D+00 -0.285107D+01
      2  -0.169733D+01 -0.355053D+01  0.114200D+02 -0.427781D+01 -0.117818D+02
      3   0.354163D+01 -0.549848D-01 -0.870094D+00  0.325623D+01  0.133113D+01
               181           182           183           184           185 
      1   0.184427D+01  0.192365D+01  0.116990D+01  0.200500D+01  0.548902D+01
      2   0.208361D+01  0.235658D+01  0.469491D+01  0.317368D+01  0.675639D+01
      3  -0.652200D+01 -0.581429D+01 -0.446823D+01 -0.585822D+01 -0.149205D+02
               186           187           188           189           190 
      1   0.155133D+01  0.215641D+01  0.421370D+01  0.216586D+01 -0.331123D+00
      2   0.724303D+01  0.424701D+01  0.414672D+01  0.889193D+01  0.103870D+01
      3  -0.900365D+01 -0.450454D+01 -0.925267D+01 -0.612442D+01  0.285184D+01
               191           192           193           194           195 
      1   0.425324D-01 -0.125910D+00 -0.200299D+00 -0.164137D+01 -0.260305D+01
      2   0.167984D+01 -0.193146D+00 -0.445953D+00  0.107558D+02 -0.997169D+01
      3   0.881068D+00 -0.141181D+01 -0.169797D+01  0.178092D+02 -0.111177D+02
               196           197           198           199           200 
      1   0.916983D+00  0.163562D+01  0.244624D+01  0.115218D+00 -0.145693D+01
      2   0.229978D+01 -0.936747D+01  0.118092D+02 -0.303539D+00  0.156205D+01
      3   0.541993D+00 -0.120440D+02  0.905008D+01  0.615572D+00 -0.196750D+00
               201           202           203           204           205 
      1  -0.416184D+00 -0.267659D+01 -0.606644D+01 -0.131960D+01 -0.550368D+01
      2  -0.465839D+00  0.240188D+01  0.115311D+01  0.550668D+00 -0.273418D+01
      3   0.272888D+00  0.276409D+01 -0.201061D+01 -0.178652D+00 -0.147569D+01
               206           207           208           209           210 
      1   0.243797D+01 -0.122414D+01  0.102241D+01 -0.206993D-01 -0.139560D+00
      2   0.246642D-01  0.474200D+00  0.244830D+01 -0.453255D+00  0.418090D+00
      3   0.561348D+00 -0.102246D+01  0.377857D+01  0.108162D+01 -0.300906D+00
               211           212           213           214           215 
      1  -0.849502D+00  0.651508D+00 -0.355776D+01 -0.196338D+01  0.193719D+00
      2  -0.427899D+00  0.371130D+01 -0.244805D+01 -0.361729D+01 -0.247273D+01
      3   0.693197D+01  0.134668D+02 -0.328073D+01 -0.129704D+01 -0.409592D+01
               216           217           218           219           220 
      1   0.632040D+00 -0.350834D+00 -0.340118D+00  0.132068D+01 -0.136092D+01
      2   0.112185D+01 -0.116740D+01  0.812635D+00 -0.176953D+01  0.195908D+01
      3   0.231374D+01 -0.444723D+00  0.264522D+01 -0.180229D+01  0.251340D+00
               221           222           223           224           225 
      1   0.101598D+01 -0.190094D+01 -0.248879D+01 -0.250407D+01  0.128783D+02
      2  -0.303382D+01  0.316587D+01  0.131423D+01  0.744356D+01 -0.251106D+02
      3  -0.438362D+01  0.308736D+01 -0.406177D-02  0.558108D+01 -0.743976D+01
               226           227           228           229           230 
      1  -0.237707D+01 -0.676880D+00 -0.217568D+01 -0.742889D+00 -0.769364D+00
      2   0.635838D+01  0.178283D+01  0.661241D+01  0.149439D+01  0.163055D+01
      3   0.408220D+01 -0.487887D+01  0.603580D+00  0.583127D+00 -0.131256D+01
               231           232           233           234           235 
      1  -0.135683D+01 -0.116817D+01 -0.208992D-01 -0.294579D+00 -0.429693D+00
      2   0.140291D+01  0.335484D+01  0.187054D+01  0.103245D+01  0.304474D+01
      3  -0.106547D+01  0.340826D+00 -0.221565D+01 -0.977465D+00 -0.592654D+01
               236           237           238           239           240 
      1   0.365949D+01  0.254159D+01  0.174037D+01 -0.550504D+01 -0.413523D+01
      2  -0.250073D+01 -0.244967D+01 -0.717739D+00  0.543637D+01  0.449719D+01
      3   0.125433D+02  0.421949D+01  0.680970D+01 -0.203726D+02 -0.615055D+01
               241           242           243 
      1  -0.160813D+00 -0.411039D+01 -0.314947D+01
      2  -0.104433D+01  0.672719D+01  0.375023D+01
      3   0.303011D+01 -0.101481D+02 -0.811822D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.141231D+02 -0.141340D+01  0.776405D+01 -0.483474D+01  0.157642D+01
      2   0.536946D+01 -0.582565D+01 -0.174975D+01 -0.194125D+01 -0.181058D+02
      3  -0.194925D+02  0.723905D+01 -0.601431D+01  0.677599D+01  0.165294D+02
      4  -0.114131D+01 -0.297914D+01 -0.204831D+02 -0.286589D+01  0.127900D+02
      5   0.144896D+02 -0.118858D+02 -0.163760D+02 -0.104882D+02 -0.801931D+01
      6  -0.146947D+02  0.124264D+02  0.105562D+02  0.686187D+01  0.128466D+02
                 6             7             8             9            10 
      1  -0.169912D+02  0.621277D+01 -0.188572D+02 -0.973382D+00 -0.179218D+02
      2   0.218322D+02 -0.171291D+01  0.280983D+02  0.229732D+01  0.712260D+01
      3  -0.484096D+01 -0.449986D+01 -0.924105D+01 -0.132394D+01  0.107992D+02
      4  -0.305897D+01 -0.230297D+02 -0.204644D+00  0.129200D+02  0.192746D+01
      5   0.806210D+01 -0.184733D+02  0.133641D+02  0.132250D+02 -0.262481D+02
      6   0.807277D+00  0.120648D+02 -0.353445D+01 -0.761716D+01  0.959456D+01
                11            12            13            14            15 
      1   0.347158D+01 -0.186219D+02  0.108138D+02  0.920911D+01  0.132971D+02
      2  -0.999982D+00  0.449202D+01 -0.485916D+01  0.256276D+01 -0.680242D+01
      3  -0.247159D+01  0.141299D+02 -0.595463D+01 -0.117719D+02 -0.649465D+01
      4   0.750944D+01  0.128249D+02  0.984273D+01 -0.228666D+02  0.139835D+02
      5   0.103291D+02  0.381644D+01  0.115265D+02  0.186228D+02 -0.795197D+01
      6  -0.908848D+01 -0.311036D+01  0.115527D+01  0.754444D+00 -0.661323D+01
                16            17            18            19            20 
      1  -0.188961D+02  0.170916D+02 -0.221087D+01  0.366397D+02  0.428873D+01
      2   0.501023D+00 -0.157726D+02 -0.381150D+01 -0.124550D+02 -0.631796D+01
      3   0.183951D+02 -0.131896D+01  0.602237D+01 -0.241847D+02  0.202924D+01
      4   0.164811D+02  0.942550D+01 -0.752187D+01  0.972261D+00 -0.432827D+01
      5   0.148266D+02 -0.919441D+01  0.326303D-01  0.201318D+01 -0.146159D+01
      6  -0.809891D+01 -0.147441D+00  0.235756D+01 -0.579354D+01  0.281565D+01
                21            22            23            24            25 
      1   0.587768D+01  0.430385D+00 -0.386286D+01 -0.773742D+01  0.268265D+02
      2   0.449996D+01 -0.251530D+01 -0.561353D+01 -0.345778D+00  0.578768D+01
      3  -0.103776D+02  0.208492D+01  0.947640D+01  0.808320D+01 -0.326142D+02
      4  -0.301634D+01 -0.726900D+01 -0.247389D+01  0.238822D+01 -0.120665D+02
      5  -0.426419D+01 -0.512942D+01  0.403968D+00  0.628695D+01 -0.150380D+02
      6   0.336665D+01  0.684870D-01 -0.562124D+01  0.276290D+01  0.446540D+01
                26            27            28            29            30 
      1  -0.103964D+02  0.199414D+02 -0.110866D+03  0.780094D+01 -0.127312D+02
      2   0.597351D+01  0.925499D+01  0.439128D+02 -0.532009D+01  0.466850D+01
      3   0.442290D+01 -0.291964D+02  0.669532D+02 -0.248085D+01  0.806268D+01
      4   0.569414D+01  0.832310D+01  0.131938D+02 -0.110151D+02  0.870306D+00
      5   0.984017D+01 -0.173577D+02 -0.499083D+01 -0.634347D+00 -0.883753D+01
      6   0.251189D+00 -0.102965D+01  0.904846D+01  0.269448D+01  0.140581D+01
                31            32            33            34            35 
      1   0.405426D+02 -0.511469D+01  0.198518D+01 -0.451037D+02 -0.217070D+01
      2  -0.194023D+02  0.297707D+01  0.362232D-01  0.122636D+02  0.363329D+01
      3  -0.211403D+02  0.213762D+01 -0.202140D+01  0.328401D+02 -0.146259D+01
      4  -0.109300D+02 -0.159567D+01  0.133725D+01  0.770143D+01 -0.316172D+01
      5   0.805508D+01  0.274612D+01  0.582270D+00 -0.100769D+02 -0.128288D+01
      6   0.148976D+01  0.939108D+01 -0.881272D+00  0.111288D+01  0.303606D+01
                36            37            38            39            40 
      1  -0.301809D+02  0.151887D+03 -0.215190D+02  0.302486D+02 -0.195394D+02
      2   0.117083D+00 -0.667714D+02  0.100768D+02 -0.111516D+02  0.491621D+01
      3   0.300639D+02 -0.851153D+02  0.114423D+02 -0.190970D+02  0.146232D+02
      4   0.283329D+01 -0.404889D+02  0.137283D+02 -0.594815D+01  0.150931D+02
      5  -0.142118D+02  0.255964D+02 -0.213145D+01  0.194153D+02  0.328482D+01
      6   0.476112D+01 -0.122196D+02 -0.122837D+01 -0.339189D+01 -0.132165D+01
                41            42            43            44            45 
      1   0.110524D+02 -0.924044D+01  0.413413D+02 -0.954813D+01  0.105641D+02
      2  -0.949567D+01  0.404568D+01 -0.188173D+02  0.841533D+01 -0.749655D+01
      3  -0.155673D+01  0.519476D+01 -0.225241D+02  0.113280D+01 -0.306755D+01
      4   0.103378D+02 -0.609025D+01 -0.550293D+01 -0.734616D+01 -0.413011D+01
      5  -0.808317D+01 -0.585128D+00  0.284811D+02 -0.472282D+01  0.729470D+01
      6   0.559568D+01  0.314832D+01 -0.931085D+01  0.537824D+01  0.340961D+00
                46            47            48            49            50 
      1  -0.136399D+03  0.333517D+02 -0.271342D+02  0.549129D+02 -0.214350D+02
      2   0.636652D+02 -0.157904D+02  0.157136D+02 -0.332846D+02  0.476847D+01
      3   0.727342D+02 -0.175614D+02  0.114206D+02 -0.216284D+02  0.166665D+02
      4   0.608715D+02 -0.328815D+02  0.174766D+02 -0.323729D+02 -0.122228D+02
      5  -0.457837D+02  0.135274D+02 -0.275193D+02  0.269633D+02  0.284943D+00
      6   0.179596D+02 -0.626505D+01  0.306357D+01  0.111446D+00  0.475038D+01
                51            52            53            54            55 
      1   0.167086D+02 -0.612473D+02  0.145749D+02 -0.178653D+02  0.159184D+03
      2  -0.136898D+02  0.301079D+02 -0.378924D+01  0.580324D+01 -0.783175D+02
      3  -0.301882D+01  0.311393D+02 -0.107856D+02  0.120621D+02 -0.808664D+02
      4   0.589775D+00  0.327690D+02 -0.302715D+01  0.728039D+01 -0.623306D+02
      5   0.472649D+01 -0.142896D+02  0.512742D+01 -0.150929D+02  0.415282D+02
      6  -0.542968D+01  0.201416D+01  0.890182D+00  0.596862D+01 -0.984276D+01
                56            57            58            59            60 
      1  -0.364549D+02  0.292578D+02 -0.935958D+02  0.272726D+02 -0.151703D+02
      2   0.134494D+02 -0.182446D+02  0.387720D+02 -0.235184D+01  0.902412D+01
      3   0.230056D+02 -0.110132D+02  0.548238D+02 -0.249208D+02  0.614615D+01
      4   0.396743D+02 -0.133961D+02  0.650429D+02 -0.453097D+02  0.164268D+02
      5  -0.113431D+02  0.321652D+02 -0.269266D+02  0.137423D+02 -0.175981D+02
      6   0.456056D+01 -0.613054D+01  0.114945D+02 -0.671468D+01  0.118035D+02
                61            62            63            64            65 
      1   0.595260D+02 -0.684095D+01  0.266938D+02 -0.136203D+02  0.984047D+00
      2  -0.343720D+02  0.500610D+01 -0.222614D+02  0.548116D+01  0.203938D+01
      3  -0.251540D+02  0.183486D+01 -0.443243D+01  0.813913D+01 -0.302343D+01
      4  -0.221513D+02  0.128326D+02 -0.210589D+02  0.185948D+01 -0.827828D+01
      5   0.530794D+02 -0.194981D+02  0.376368D+02  0.340508D+02 -0.202757D+02
      6  -0.108221D+02  0.111335D+02 -0.989667D+01 -0.105935D+02  0.295518D+01
                66            67            68            69            70 
      1   0.283555D+02 -0.336173D+01 -0.610973D+01 -0.274966D+02  0.420663D+02
      2  -0.112961D+02  0.587463D+01  0.534925D+01  0.188763D+02 -0.162502D+02
      3  -0.170594D+02 -0.251290D+01  0.760478D+00  0.862030D+01 -0.258161D+02
      4  -0.226197D+02 -0.167809D+02  0.684411D+01 -0.272047D+02 -0.247456D+02
      5  -0.734187D+01 -0.188829D+02 -0.297135D+02  0.414762D+01 -0.201141D+02
      6  -0.660162D-01 -0.179960D+01  0.104186D+02 -0.110853D+02  0.308069D+01
                71            72            73            74            75 
      1  -0.300610D+02 -0.109093D+02 -0.169769D+02 -0.133725D+02  0.211916D+02
      2   0.210951D+02  0.516836D+01  0.102944D+02  0.714975D+01  0.312283D+01
      3   0.896595D+01  0.574092D+01  0.668242D+01  0.622277D+01 -0.243144D+02
      4  -0.243735D+02  0.889361D+01 -0.229788D+02 -0.883563D+01  0.138506D+02
      5   0.771292D+01 -0.638912D+01  0.245698D+02  0.130178D+02 -0.278333D+01
      6  -0.122130D+02  0.282585D+01  0.116414D+02  0.960898D+01  0.240730D+01
                76            77            78            79            80 
      1  -0.130586D+02 -0.879439D+01  0.125282D+02  0.123540D+02  0.697413D+01
      2   0.952090D+01  0.203914D+01 -0.133206D+02  0.398353D+01 -0.613291D+01
      3   0.353769D+01  0.675525D+01  0.792463D+00 -0.163375D+02 -0.841223D+00
      4  -0.726855D+01  0.216001D+02 -0.917158D+01  0.896185D+01 -0.430558D+01
      5   0.157250D+02 -0.158377D+02 -0.553879D+01  0.915463D+00 -0.527804D+01
      6   0.873582D+00 -0.115619D+02  0.278914D+01  0.383465D+01 -0.108559D+01
                81            82            83            84            85 
      1   0.141068D+02  0.502105D+01 -0.122027D+02  0.456271D+01 -0.890088D+01
      2  -0.300562D+01 -0.719211D+01  0.183798D+02 -0.120078D+02  0.114785D+02
      3  -0.111012D+02  0.217106D+01 -0.617712D+01  0.744507D+01 -0.257764D+01
      4  -0.108322D+01 -0.533530D+01 -0.494452D+01 -0.117752D+02 -0.714726D-01
      5   0.370796D+00 -0.629010D+01 -0.125926D+02 -0.107937D+02 -0.124409D+02
      6   0.376952D+01 -0.608420D+01 -0.137207D+02 -0.130462D+02 -0.946489D+01
                86            87            88            89            90 
      1   0.475179D+01 -0.340624D+01  0.874575D+01 -0.399132D+01 -0.122005D+02
      2  -0.266329D+01 -0.290729D+00 -0.171464D+02 -0.334700D+01  0.841553D+01
      3  -0.208850D+01  0.369697D+01  0.840067D+01  0.733832D+01  0.378492D+01
      4   0.504674D+01 -0.103746D+02 -0.115171D+02 -0.159685D+02 -0.818957D+01
      5  -0.501674D+01  0.124512D+01 -0.137018D+02 -0.254859D+01  0.250874D+01
      6  -0.197093D+01 -0.194558D+01 -0.136392D+02 -0.130186D+01  0.708473D+00
                91            92            93            94            95 
      1  -0.598312D+02 -0.288896D+02 -0.138955D+02 -0.124070D+02  0.202389D+02
      2   0.252800D+02  0.237319D+02  0.110228D+02  0.137310D+02 -0.800670D+01
      3   0.345512D+02  0.515775D+01  0.287271D+01 -0.132405D+01 -0.122323D+02
      4  -0.247409D+02  0.168321D+02 -0.619772D+01  0.198442D+02  0.134326D+02
      5  -0.123633D+02 -0.319181D+01  0.118254D+02 -0.359708D+01 -0.104725D+02
      6  -0.559644D+01  0.126409D+01  0.616720D+01 -0.128076D+01 -0.103006D+02
                96            97            98            99           100 
      1   0.260850D+01 -0.223649D+02  0.235607D+00  0.182508D+02  0.475752D+02
      2  -0.773191D+01  0.111067D+02 -0.116577D+02 -0.355172D+01 -0.248969D+02
      3   0.512341D+01  0.112582D+02  0.114220D+02 -0.146991D+02 -0.226783D+02
      4  -0.868107D+01 -0.821348D+01 -0.857510D+01 -0.104739D+02  0.345689D+02
      5  -0.559210D+01  0.311040D+01 -0.123605D+02  0.289486D+02 -0.338225D+02
      6  -0.818012D+00  0.132964D+01 -0.734861D+01  0.136642D+02 -0.135096D+02
               101           102           103           104           105 
      1   0.112782D+02 -0.143839D+02  0.901099D+01  0.589795D+01 -0.244150D+01
      2  -0.267577D+01  0.972431D+01 -0.129548D+01  0.238187D+01  0.150045D+01
      3  -0.860240D+01  0.465960D+01 -0.771551D+01 -0.827982D+01  0.941050D+00
      4   0.217458D+02 -0.142986D+02  0.182716D+02  0.130355D+02 -0.724687D+01
      5  -0.122642D+02  0.204741D+02 -0.892587D+01 -0.710130D+01  0.602532D+01
      6  -0.913671D+01  0.854908D+01 -0.762263D+01 -0.501315D+01  0.564159D+01
               106           107           108           109           110 
      1  -0.100657D+02 -0.239218D+01  0.402879D+01 -0.481582D+01  0.536805D+01
      2   0.736925D+01  0.276045D+01 -0.662136D+01 -0.172034D+01 -0.341723D+01
      3   0.269640D+01 -0.368264D+00  0.259257D+01  0.653617D+01 -0.195083D+01
      4  -0.910417D+01 -0.519422D+01  0.891719D+01 -0.354253D+00 -0.116703D+01
      5   0.165517D+02  0.732299D+01 -0.140883D+02 -0.652509D+00 -0.119135D+01
      6   0.692901D+01  0.496528D+01 -0.762948D+01 -0.432893D+01  0.323431D+01
               111           112           113           114           115 
      1  -0.150440D+02  0.196929D+01 -0.436318D+01  0.437200D+00 -0.104610D+02
      2  -0.242294D+01 -0.157468D+01  0.922798D+00 -0.130021D+01  0.123924D+01
      3   0.174669D+02 -0.394611D+00  0.344038D+01  0.863008D+00  0.922176D+01
      4  -0.286579D+01  0.158991D+01 -0.145405D+01 -0.784843D+00 -0.278484D+01
      5  -0.220134D+01 -0.149206D+01  0.615934D+00  0.555159D+00  0.223122D+01
      6  -0.755258D+01  0.166838D+01 -0.189562D+01  0.692271D+01 -0.182673D+01
               116           117           118           119           120 
      1   0.475889D+01 -0.254448D+02 -0.349476D+01  0.384155D+00 -0.174731D+01
      2  -0.114463D+01 -0.909467D+01 -0.584624D+01  0.249154D+00 -0.492694D+01
      3  -0.361426D+01  0.345394D+02  0.934100D+01 -0.633309D+00  0.667425D+01
      4  -0.396249D+01  0.159258D+01 -0.341903D+00  0.377481D+01 -0.703714D+00
      5   0.343196D+01 -0.142329D+02  0.840150D+01 -0.195206D+01  0.129540D+02
      6   0.730660D+01 -0.159097D+02 -0.403554D+00  0.837505D+00  0.157136D+00
               121           122           123           124           125 
      1   0.669168D+01 -0.516482D+01  0.380380D+01 -0.837169D+01  0.139929D+01
      2  -0.259046D+01 -0.111877D-01  0.305414D+01 -0.731616D+01  0.348333D+01
      3  -0.410122D+01  0.517601D+01 -0.685793D+01  0.156879D+02 -0.488262D+01
      4   0.277548D+01 -0.108003D+01  0.322502D+01  0.999531D+00  0.289011D+01
      5  -0.258190D+01  0.380993D+01 -0.319322D+01  0.181890D+02 -0.345143D+01
      6   0.142577D+01 -0.125572D+01  0.738075D+01  0.579138D+00  0.548833D+01
               126           127           128           129           130 
      1  -0.281387D+02 -0.765979D+01  0.169296D+02  0.280380D+00  0.924269D+01
      2  -0.208891D+02  0.109184D+02 -0.237732D+02  0.790514D+00 -0.130177D+02
      3   0.490278D+02 -0.325865D+01  0.684365D+01 -0.107089D+01  0.377501D+01
      4  -0.208896D+01 -0.670125D+01  0.370258D+01  0.162182D+01  0.611309D+01
      5   0.250586D+02 -0.440078D+00  0.142297D+01  0.132997D+01  0.179013D+01
      6  -0.212491D+00 -0.517231D-02  0.471244D+00 -0.250425D+01  0.512911D+00
               131           132           133           134           135 
      1  -0.250272D+02 -0.383665D+00 -0.214014D+01  0.378332D+01 -0.369465D+01
      2   0.376273D+02  0.560514D+00  0.299732D+01 -0.466916D+01  0.379254D+01
      3  -0.126001D+02 -0.176849D+00 -0.857181D+00  0.885842D+00 -0.978890D-01
      4  -0.314668D+00  0.116953D+01  0.300052D+00  0.592199D+00  0.574673D+00
      5   0.302115D+00  0.713123D+00  0.258823D+01  0.117960D+01 -0.722182D+00
      6   0.639985D+00  0.587005D+01 -0.759590D+00  0.688076D+01 -0.169819D+01
               136           137           138           139           140 
      1   0.818349D+01  0.581514D+00  0.158715D+01  0.149474D+01 -0.640354D+01
      2   0.214191D+01  0.700041D+01  0.234678D+01  0.452270D+01  0.155502D+02
      3  -0.103254D+02 -0.758193D+01 -0.393393D+01 -0.601744D+01 -0.914663D+01
      4   0.216277D+02  0.201635D+02  0.119635D+02  0.154370D+02  0.188766D+02
      5   0.130317D+02  0.980316D+01  0.126846D+02  0.696907D+01  0.969469D+01
      6   0.104546D+02  0.106442D+02  0.112451D+02  0.783900D+01  0.134867D+02
               141           142           143           144           145 
      1  -0.339981D+01  0.475538D+00 -0.568065D+01 -0.344423D+01 -0.309539D+01
      2   0.698558D+01  0.263490D+01  0.899313D+01  0.171780D+01  0.421661D+01
      3  -0.358577D+01 -0.311044D+01 -0.331249D+01  0.172644D+01 -0.112122D+01
      4   0.107557D+02  0.128711D+02  0.144478D+02  0.135465D+02 -0.125119D+01
      5   0.750439D+01  0.121923D+02  0.106560D+02  0.144996D+02  0.141971D+00
      6   0.105583D+02  0.113013D+02  0.145529D+02  0.164635D+02  0.177360D-01
               146           147           148           149           150 
      1  -0.527433D+01  0.920334D+00 -0.335172D+01 -0.244821D+02  0.426914D+01
      2   0.650959D+01 -0.158627D+01  0.299060D+01  0.472353D+02 -0.115562D+02
      3  -0.123525D+01  0.665935D+00  0.361117D+00 -0.227533D+02  0.728702D+01
      4   0.570849D+01  0.465649D+00  0.649140D+01 -0.194228D+02  0.316588D+01
      5   0.183789D+01  0.241071D+01  0.159504D+01  0.531822D+01 -0.477722D+01
      6  -0.111444D+01 -0.452904D-01 -0.107547D+01 -0.147610D+01  0.786578D+01
               151           152           153           154           155 
      1   0.259330D+01  0.115173D+02 -0.419436D+01 -0.974413D+01 -0.528549D+01
      2  -0.153142D+01 -0.216205D+02  0.778125D+01 -0.206409D+01  0.603759D+01
      3  -0.106188D+01  0.101033D+02 -0.358689D+01  0.118082D+02 -0.752100D+00
      4  -0.199808D+01  0.965103D+01 -0.496014D+01  0.133321D+02 -0.523276D+00
      5   0.213313D+01 -0.559707D+01  0.347476D+01  0.597589D+01  0.413257D+00
      6  -0.698044D+00  0.731414D+01 -0.683125D+01  0.491997D+01  0.382230D+01
               156           157           158           159           160 
      1  -0.111731D+02  0.477332D+00 -0.206746D+01  0.336631D+01 -0.896740D+01
      2  -0.506364D+00  0.210511D+01  0.214862D+01 -0.541715D+00 -0.572771D+00
      3   0.116794D+02 -0.258244D+01 -0.811604D-01 -0.282459D+01  0.954017D+01
      4   0.624103D+01 -0.357031D+00  0.171317D+01  0.520779D+00  0.757439D+01
      5   0.339582D+01  0.357973D+00  0.198060D+01  0.587589D+00  0.530524D+01
      6   0.592339D+01  0.211548D+01 -0.145826D+01  0.137354D+01  0.315817D+01
               161           162           163           164           165 
      1   0.248701D-01 -0.100478D+02  0.103624D+02  0.514109D+00 -0.209522D+01
      2  -0.831952D+00 -0.258927D+01 -0.102876D+02 -0.174296D+01  0.731231D+01
      3   0.807082D+00  0.126371D+02 -0.747746D-01  0.122885D+01 -0.521709D+01
      4   0.303040D+00  0.253691D+01 -0.182302D+02  0.152319D+02  0.150444D+02
      5  -0.168538D+01 -0.802698D-01 -0.234617D+02  0.120075D+02  0.225385D+02
      6   0.391746D+01  0.661436D+01  0.127515D+02 -0.115221D+02 -0.137264D+02
               166           167           168           169           170 
      1   0.762847D+00 -0.318765D+01 -0.181426D+01 -0.384276D+01 -0.341017D+01
      2  -0.193193D+01  0.572772D+01  0.885909D+00  0.841178D+01 -0.820497D+00
      3   0.116908D+01 -0.254007D+01  0.928355D+00 -0.456903D+01  0.423067D+01
      4   0.940602D+01 -0.106217D+02 -0.779467D+01  0.149389D+02 -0.113112D+02
      5   0.554764D+01 -0.731202D+01 -0.600864D+01  0.218227D+02 -0.129816D+02
      6  -0.737092D+01  0.779056D+01  0.958374D+01 -0.127213D+02  0.140970D+02
               171           172           173           174           175 
      1  -0.634599D+01  0.680930D+02 -0.135075D+02 -0.199222D+02 -0.126287D+02
      2  -0.983172D+01 -0.322686D+02  0.384512D+01  0.880275D+01  0.257142D+01
      3   0.161777D+02 -0.358244D+02  0.966241D+01  0.111194D+02  0.100573D+02
      4  -0.155472D+02 -0.230791D+02  0.145728D+02  0.840497D+01  0.191324D+02
      5  -0.276130D+02 -0.206767D+02  0.642210D+01  0.161530D+02  0.555387D+01
      6   0.210854D+02  0.478299D+01 -0.133194D+01 -0.318955D+01 -0.153378D+01
               176           177           178           179           180 
      1   0.964748D+01  0.553070D+01 -0.437688D+02  0.107842D+02  0.158691D+02
      2  -0.237504D+01 -0.179299D+01  0.209015D+02 -0.390404D+01 -0.913609D+01
      3  -0.727244D+01 -0.373772D+01  0.228673D+02 -0.688017D+01 -0.673302D+01
      4  -0.117174D+02 -0.324444D+01  0.176744D+02 -0.100033D+02 -0.832200D+01
      5  -0.229260D+01 -0.481080D+01  0.240443D+02 -0.744150D+01 -0.204103D+02
      6   0.732813D+00  0.414657D+01 -0.504761D+01  0.441588D+01  0.484563D+01
               181           182           183           184           185 
      1   0.212562D+02  0.103583D+02  0.770947D+01  0.233793D+02  0.858600D+01
      2  -0.131677D+02 -0.707302D+01 -0.677954D+01 -0.148717D+02 -0.588169D+01
      3  -0.808852D+01 -0.328524D+01 -0.929938D+00 -0.850752D+01 -0.270430D+01
      4   0.994844D+01  0.983532D+01  0.788388D+01  0.141640D+02  0.227484D+02
      5   0.107623D+02  0.923023D+01  0.121036D+02  0.159206D+02  0.149399D+02
      6   0.307415D+01  0.148094D+01  0.105950D+01  0.242072D+01  0.483742D+01
               186           187           188           189           190 
      1   0.108049D+02  0.105800D+02  0.733546D+01  0.940665D+01  0.119470D+01
      2  -0.104780D+02 -0.100641D+02 -0.803609D+01 -0.121538D+02  0.385235D-01
      3  -0.326897D+00 -0.515896D+00  0.700629D+00  0.274717D+01 -0.123322D+01
      4   0.143529D+02  0.859959D+01  0.134736D+02  0.870131D+01 -0.392816D+01
      5   0.160952D+02  0.187345D+02  0.102348D+02  0.216338D+02  0.214307D+00
      6   0.475106D+01  0.106602D+01  0.567656D+01  0.237051D+01 -0.194054D+01
               191           192           193           194           195 
      1  -0.699271D+01  0.288190D+01 -0.974567D+01 -0.821840D+01  0.768901D+01
      2   0.428533D+01 -0.110437D+01  0.275814D+01  0.136774D+02 -0.533244D+01
      3   0.270739D+01 -0.177753D+01  0.698753D+01 -0.545904D+01 -0.235656D+01
      4   0.236809D+01  0.307225D+00  0.155345D+02 -0.332894D+02  0.203951D+02
      5  -0.230210D-01  0.193727D+01 -0.721802D+01  0.200876D+02 -0.178053D+02
      6  -0.133959D+01  0.997009D+00  0.476976D+01 -0.178091D+02  0.148275D+02
               196           197           198           199           200 
      1   0.372652D+01  0.845950D+01 -0.485395D+01  0.260657D+00  0.190302D+01
      2  -0.271247D+01 -0.543803D+01 -0.161022D+01 -0.114171D+01 -0.111272D+00
      3  -0.101404D+01 -0.302146D+01  0.646418D+01  0.881052D+00 -0.179175D+01
      4  -0.609021D+01  0.207051D+02 -0.167934D+02  0.404786D+01  0.548966D+01
      5   0.122486D+02 -0.168964D+02  0.228175D+02 -0.168441D+01 -0.228733D+01
      6  -0.409601D+01  0.147715D+02 -0.147943D+02 -0.227789D+01 -0.988690D+00
               201           202           203           204           205 
      1  -0.139129D+01  0.240789D+01 -0.120431D+02  0.658633D+01 -0.804393D+00
      2   0.538754D+00 -0.162351D+00  0.105002D+02 -0.211465D+01  0.356342D+01
      3   0.852531D+00 -0.224554D+01  0.154292D+01 -0.447168D+01 -0.275902D+01
      4  -0.123735D+01  0.468955D+01  0.821166D+01 -0.345555D+01 -0.689972D+00
      5   0.182174D+01 -0.271163D+01 -0.502651D+01  0.319959D+01  0.200085D+01
      6   0.657308D+00 -0.114139D+01 -0.112968D+02  0.693231D+01  0.205127D+01
               206           207           208           209           210 
      1   0.540760D+01 -0.223840D+01 -0.162708D+01 -0.156705D+01  0.631889D+00
      2  -0.234350D+01  0.813367D+00  0.300488D+01  0.803801D+00 -0.281203D+00
      3  -0.306410D+01  0.142503D+01 -0.137781D+01  0.763246D+00 -0.350686D+00
      4  -0.162127D+01  0.900023D+00 -0.970276D+00  0.516999D+01 -0.124568D+01
      5   0.227193D+01 -0.851810D+00  0.951676D+00 -0.699013D+00  0.677797D+00
      6   0.539841D+01 -0.441025D+01 -0.746980D+00  0.103872D+01 -0.422554D-01
               211           212           213           214           215 
      1  -0.531958D+01 -0.196225D+02  0.452890D+01  0.286164D+01  0.630772D+01
      2   0.284568D+01  0.247578D+02 -0.429863D+01 -0.465897D+00 -0.632417D+01
      3   0.247390D+01 -0.513536D+01 -0.230268D+00 -0.239575D+01  0.164479D-01
      4   0.295726D+01 -0.175997D+02  0.401139D+01 -0.172113D+01  0.605572D+01
      5  -0.790327D+00  0.317389D+01 -0.249769D+01 -0.487038D+00 -0.273742D+01
      6   0.863527D+00 -0.344803D+01  0.484916D+01  0.138949D+01  0.452743D+01
               216           217           218           219           220 
      1  -0.498464D+01  0.597809D+01  0.550251D+01 -0.628524D+01  0.402274D+01
      2   0.373011D+01 -0.456383D+01 -0.424770D+01  0.204484D+01 -0.187274D+01
      3   0.125453D+01 -0.141426D+01 -0.125481D+01  0.424039D+01 -0.215000D+01
      4  -0.330598D+01  0.217911D+01 -0.303326D+01 -0.882454D+00  0.253839D+01
      5   0.224297D+01 -0.351535D+01  0.515900D+00  0.334177D+00  0.401971D-01
      6  -0.343756D+01 -0.205077D+01  0.976440D+00 -0.214410D+01 -0.112550D+01
               221           222           223           224           225 
      1  -0.693626D+01  0.396223D+01 -0.897529D+01  0.357073D+01 -0.164680D+02
      2   0.499913D+01 -0.320295D+01  0.579119D+01 -0.118094D+01 -0.798967D+01
      3   0.193714D+01 -0.759275D+00  0.318410D+01 -0.238979D+01  0.244577D+02
      4   0.639141D+01 -0.567844D+01 -0.100927D+02 -0.143001D+02  0.127112D+02
      5  -0.602439D+01  0.607286D+01  0.116978D+02  0.145856D+02 -0.473361D+02
      6  -0.436306D+01  0.842514D+01  0.424662D+01  0.118842D+02 -0.230958D+02
               226           227           228           229           230 
      1   0.878665D+02  0.203863D+02  0.580966D+01  0.837700D+01  0.813515D+01
      2  -0.397470D+02 -0.589302D+01 -0.227470D+01 -0.249433D-01 -0.424967D+00
      3  -0.481195D+02 -0.144933D+02 -0.353496D+01 -0.835206D+01 -0.771018D+01
      4   0.423022D+02  0.215951D+02  0.318519D+01  0.154909D+02  0.993757D+01
      5   0.144274D+01  0.739501D+00  0.117410D+02  0.774284D+00  0.192550D+01
      6   0.268663D+01  0.362703D+00  0.397851D+01 -0.206618D+00  0.118300D+01
               231           232           233           234           235 
      1   0.403973D+00  0.132633D+02  0.293646D+01  0.785662D+01 -0.530979D+01
      2   0.101942D+01 -0.616206D+01  0.316653D+00 -0.489957D+01  0.586293D+01
      3  -0.142339D+01 -0.710123D+01 -0.325312D+01 -0.295706D+01 -0.553144D+00
      4   0.247154D+01  0.744245D+01  0.546931D+01  0.625893D+01 -0.690684D+00
      5   0.200215D+01  0.121045D+02  0.474667D+01  0.190073D+01  0.456444D+01
      6   0.188428D+01  0.414074D+01  0.286625D+01  0.619801D+00  0.315645D+01
               236           237           238           239           240 
      1   0.157336D+02  0.775320D+01  0.160292D+02 -0.229513D+02 -0.757261D+01
      2  -0.165482D+02 -0.595131D+01 -0.103854D+02  0.305371D+02  0.926660D+01
      3   0.814594D+00 -0.180189D+01 -0.564382D+01 -0.758580D+01 -0.169399D+01
      4  -0.999178D+01  0.245750D+00  0.319810D+01  0.232705D+02  0.579771D+01
      5  -0.161733D+01 -0.481696D+01 -0.291857D+01  0.725113D+01  0.855307D+01
      6  -0.345762D+01 -0.458436D+01 -0.192213D+01  0.747397D+01  0.729357D+01
               241           242           243 
      1   0.923278D+01 -0.895682D+01 -0.110851D+02
      2  -0.473880D+01  0.120937D+02  0.748788D+01
      3  -0.449398D+01 -0.313691D+01  0.359726D+01
      4   0.339392D+01  0.118147D+02  0.748568D+01
      5  -0.379535D+00  0.946965D+01  0.454616D+01
      6  -0.147597D+01  0.100035D+02  0.588304D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Aug 12 21:05:04 2021, MaxMem=  5368709120 cpu:           10707.8 elap:            1343.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -19.12646 -10.27441 -10.21482 -10.20907 -10.20350
 Alpha  occ. eigenvalues --  -10.19394 -10.19033 -10.19029 -10.18644 -10.18513
 Alpha  occ. eigenvalues --  -10.18276  -1.02946  -0.87078  -0.79999  -0.75095
 Alpha  occ. eigenvalues --   -0.73224  -0.69343  -0.68400  -0.62218  -0.59607
 Alpha  occ. eigenvalues --   -0.53878  -0.52207  -0.49319  -0.48294  -0.47772
 Alpha  occ. eigenvalues --   -0.45093  -0.44740  -0.44284  -0.42675  -0.41422
 Alpha  occ. eigenvalues --   -0.40373  -0.40110  -0.38726  -0.37905  -0.36968
 Alpha  occ. eigenvalues --   -0.36588  -0.34423  -0.33189  -0.32460  -0.30760
 Alpha  occ. eigenvalues --   -0.27226  -0.25463
 Alpha virt. eigenvalues --   -0.06186   0.00496   0.02417   0.02920   0.03149
 Alpha virt. eigenvalues --    0.04608   0.05660   0.05840   0.06182   0.06448
 Alpha virt. eigenvalues --    0.07630   0.08557   0.08978   0.09305   0.09835
 Alpha virt. eigenvalues --    0.10715   0.10878   0.11375   0.11758   0.12444
 Alpha virt. eigenvalues --    0.12758   0.13927   0.14235   0.15104   0.15290
 Alpha virt. eigenvalues --    0.16283   0.16405   0.17147   0.17862   0.18142
 Alpha virt. eigenvalues --    0.18976   0.19155   0.20174   0.20778   0.21267
 Alpha virt. eigenvalues --    0.22267   0.22763   0.23041   0.24281   0.24837
 Alpha virt. eigenvalues --    0.25266   0.25525   0.27362   0.27622   0.28532
 Alpha virt. eigenvalues --    0.29135   0.29588   0.29835   0.30214   0.30621
 Alpha virt. eigenvalues --    0.31406   0.31678   0.32020   0.32592   0.32771
 Alpha virt. eigenvalues --    0.33093   0.33379   0.33803   0.34537   0.34750
 Alpha virt. eigenvalues --    0.35352   0.35999   0.36173   0.36365   0.36676
 Alpha virt. eigenvalues --    0.37133   0.37394   0.38099   0.38497   0.38657
 Alpha virt. eigenvalues --    0.39311   0.39807   0.40102   0.40368   0.40836
 Alpha virt. eigenvalues --    0.40966   0.41571   0.41699   0.42427   0.43137
 Alpha virt. eigenvalues --    0.43777   0.44104   0.45031   0.45447   0.45730
 Alpha virt. eigenvalues --    0.46340   0.46850   0.47338   0.47600   0.47823
 Alpha virt. eigenvalues --    0.48040   0.48860   0.49291   0.49749   0.50355
 Alpha virt. eigenvalues --    0.50703   0.51427   0.51826   0.52441   0.52633
 Alpha virt. eigenvalues --    0.53402   0.53562   0.54880   0.55122   0.55266
 Alpha virt. eigenvalues --    0.55449   0.56214   0.56452   0.57153   0.57720
 Alpha virt. eigenvalues --    0.58494   0.58837   0.58958   0.59799   0.60163
 Alpha virt. eigenvalues --    0.61179   0.61280   0.62764   0.63700   0.64048
 Alpha virt. eigenvalues --    0.64268   0.65125   0.66060   0.66548   0.67345
 Alpha virt. eigenvalues --    0.68045   0.68195   0.69338   0.70283   0.71104
 Alpha virt. eigenvalues --    0.71701   0.73019   0.73936   0.74288   0.75267
 Alpha virt. eigenvalues --    0.75893   0.76867   0.78056   0.78198   0.78529
 Alpha virt. eigenvalues --    0.79982   0.80979   0.81591   0.81953   0.84460
 Alpha virt. eigenvalues --    0.87827   0.88700   0.91310   0.92172   0.93144
 Alpha virt. eigenvalues --    0.94355   0.95724   0.96934   0.97353   0.97981
 Alpha virt. eigenvalues --    0.99029   0.99390   1.00063   1.01267   1.01939
 Alpha virt. eigenvalues --    1.02486   1.03007   1.03828   1.04187   1.04370
 Alpha virt. eigenvalues --    1.05354   1.06563   1.07379   1.09029   1.10461
 Alpha virt. eigenvalues --    1.11742   1.15679   1.16293   1.17969   1.18305
 Alpha virt. eigenvalues --    1.18908   1.20443   1.22040   1.22853   1.25490
 Alpha virt. eigenvalues --    1.26607   1.28131   1.28734   1.29647   1.31238
 Alpha virt. eigenvalues --    1.32329   1.32796   1.35016   1.36528   1.37629
 Alpha virt. eigenvalues --    1.39476   1.41041   1.43078   1.43659   1.44803
 Alpha virt. eigenvalues --    1.47570   1.48647   1.51301   1.53082   1.53972
 Alpha virt. eigenvalues --    1.55896   1.57332   1.57853   1.59366   1.61876
 Alpha virt. eigenvalues --    1.63422   1.64735   1.66960   1.67934   1.68872
 Alpha virt. eigenvalues --    1.70716   1.72099   1.72690   1.73324   1.74521
 Alpha virt. eigenvalues --    1.76274   1.77523   1.78262   1.81051   1.83722
 Alpha virt. eigenvalues --    1.84586   1.85543   1.85811   1.86989   1.87786
 Alpha virt. eigenvalues --    1.89078   1.90134   1.91772   1.93080   1.94794
 Alpha virt. eigenvalues --    1.96978   1.98004   1.98397   2.00287   2.01515
 Alpha virt. eigenvalues --    2.03039   2.03480   2.04340   2.06480   2.07745
 Alpha virt. eigenvalues --    2.08638   2.09562   2.10840   2.12722   2.13103
 Alpha virt. eigenvalues --    2.16571   2.16924   2.18061   2.20053   2.20898
 Alpha virt. eigenvalues --    2.23334   2.23380   2.25913   2.26530   2.28009
 Alpha virt. eigenvalues --    2.29054   2.29656   2.30882   2.33680   2.34255
 Alpha virt. eigenvalues --    2.37056   2.38450   2.41190   2.42048   2.43785
 Alpha virt. eigenvalues --    2.46324   2.47857   2.48662   2.51943   2.54134
 Alpha virt. eigenvalues --    2.55599   2.55767   2.56616   2.56766   2.59526
 Alpha virt. eigenvalues --    2.61556   2.64748   2.66565   2.68266   2.70731
 Alpha virt. eigenvalues --    2.72743   2.73553   2.76234   2.77781   2.84475
 Alpha virt. eigenvalues --    2.86661   2.87100   2.91482   2.92516   2.96279
 Alpha virt. eigenvalues --    2.98901   3.00087   3.03787   3.04630   3.05565
 Alpha virt. eigenvalues --    3.07079   3.09871   3.11934   3.13263   3.13962
 Alpha virt. eigenvalues --    3.15662   3.16682   3.20393   3.21022   3.22256
 Alpha virt. eigenvalues --    3.31671   3.40098   3.48163   3.83884
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    5.951504  -1.459913  -0.050599  -0.049418   0.004867   0.000044
     2  C   -1.459913  12.420196  -0.970837   0.201280  -0.030386   0.017991
     3  C   -0.050599  -0.970837   7.558888  -0.518987  -0.030225   0.028155
     4  C   -0.049418   0.201280  -0.518987   9.003462  -0.791117   0.161775
     5  C    0.004867  -0.030386  -0.030225  -0.791117   9.320699  -0.979408
     6  C    0.000044   0.017991   0.028155   0.161775  -0.979408   6.400775
     7  O   -0.000510   0.002281  -0.005201   0.068119  -0.108949   0.324165
     8  C   -0.262198  -0.539150   0.129359  -0.034238   0.002885   0.000091
     9  C   -0.039277  -0.231375   0.198532  -0.063167   0.013390  -0.003937
    10  C    0.051040   0.279396  -0.300247   0.072129  -0.170966   0.015817
    11  C   -0.000819  -0.002495   0.024679  -0.110167   0.082651   0.456706
    12  H    0.161479  -0.267239   0.041838  -0.018187  -0.001110   0.000070
    13  H   -0.133729   0.036289   0.139325   0.057393  -0.023014   0.000364
    14  H    0.135377  -0.136669  -0.284967  -0.163263   0.035082  -0.000410
    15  H   -0.004909  -0.072306   0.085151  -0.206864   0.082938  -0.000274
    16  H   -0.015337   0.183529   0.028904   0.063297   0.028092  -0.000504
    17  H   -0.070616   0.276077   0.023664  -0.011092   0.003027  -0.001762
    18  H    0.426687  -0.111559  -0.123121   0.041536  -0.012638   0.004039
    19  H   -0.173925   0.320301   0.019091  -0.005292   0.001257   0.000541
    20  H    0.038098   0.235623   0.017702   0.008093   0.000391  -0.000023
    21  H   -0.002157   0.325033  -0.007359  -0.004973   0.001134  -0.000018
    22  H    0.045407   0.075410   0.001487  -0.013441   0.000194  -0.000049
    23  H   -0.015573  -0.047684  -0.482614  -0.983426  -0.741714  -0.133863
    24  H   -0.000450  -0.070461  -0.000960  -0.736236  -0.039342  -0.436126
    25  H   -0.000578   0.000497   0.005334  -0.000622  -0.075422   0.149644
    26  H   -0.000020  -0.000091  -0.000882   0.045587   0.065547   0.117030
    27  H    0.000530  -0.000766   0.000076   0.009495  -0.049317   0.120332
               7          8          9         10         11         12
     1  C   -0.000510  -0.262198  -0.039277   0.051040  -0.000819   0.161479
     2  C    0.002281  -0.539150  -0.231375   0.279396  -0.002495  -0.267239
     3  C   -0.005201   0.129359   0.198532  -0.300247   0.024679   0.041838
     4  C    0.068119  -0.034238  -0.063167   0.072129  -0.110167  -0.018187
     5  C   -0.108949   0.002885   0.013390  -0.170966   0.082651  -0.001110
     6  C    0.324165   0.000091  -0.003937   0.015817   0.456706   0.000070
     7  O    8.142273  -0.000070  -0.000239   0.003882  -0.009755   0.000002
     8  C   -0.000070   5.169243  -0.040767   0.007666   0.000145  -0.143394
     9  C   -0.000239  -0.040767   4.903307   0.019581  -0.000338   0.080561
    10  C    0.003882   0.007666   0.019581   4.924322   0.000566   0.017605
    11  C   -0.009755   0.000145  -0.000338   0.000566   4.299852   0.000018
    12  H    0.000002  -0.143394   0.080561   0.017605   0.000018   2.126965
    13  H   -0.000186   0.073283   0.055434  -0.067826   0.000160  -0.569329
    14  H   -0.000538  -0.216512  -0.007008   0.012069  -0.001731   0.019730
    15  H    0.002010  -0.023087   0.054578  -0.014955   0.000981   0.159196
    16  H   -0.000107   0.028763  -0.091719   0.089321  -0.000063  -0.250152
    17  H   -0.000089  -0.004572  -0.004996  -0.008114   0.000342  -0.003150
    18  H    0.000739   0.005497  -0.040447   0.030474  -0.003309   0.007092
    19  H   -0.000133   0.051276   0.036583  -0.011430   0.000211   0.009799
    20  H    0.000003  -0.181742   0.006535   0.001654  -0.000004   0.049504
    21  H   -0.000001   0.227667  -0.037311  -0.015708   0.000004  -0.030245
    22  H    0.000002  -0.025437   0.008944   0.001786   0.000029   0.009440
    23  H    0.012840  -0.003370   0.031058  -0.010586  -0.126330  -0.001513
    24  H   -0.034209   0.001209   0.052635  -0.089499   0.000209  -0.000645
    25  H    0.005377   0.000049  -0.000073   0.000128   0.188790   0.000001
    26  H   -0.021968   0.000002   0.000034  -0.000105   0.210306  -0.000000
    27  H    0.006346   0.000093  -0.000191   0.000226   0.187889   0.000004
              13         14         15         16         17         18
     1  C   -0.133729   0.135377  -0.004909  -0.015337  -0.070616   0.426687
     2  C    0.036289  -0.136669  -0.072306   0.183529   0.276077  -0.111559
     3  C    0.139325  -0.284967   0.085151   0.028904   0.023664  -0.123121
     4  C    0.057393  -0.163263  -0.206864   0.063297  -0.011092   0.041536
     5  C   -0.023014   0.035082   0.082938   0.028092   0.003027  -0.012638
     6  C    0.000364  -0.000410  -0.000274  -0.000504  -0.001762   0.004039
     7  O   -0.000186  -0.000538   0.002010  -0.000107  -0.000089   0.000739
     8  C    0.073283  -0.216512  -0.023087   0.028763  -0.004572   0.005497
     9  C    0.055434  -0.007008   0.054578  -0.091719  -0.004996  -0.040447
    10  C   -0.067826   0.012069  -0.014955   0.089321  -0.008114   0.030474
    11  C    0.000160  -0.001731   0.000981  -0.000063   0.000342  -0.003309
    12  H   -0.569329   0.019730   0.159196  -0.250152  -0.003150   0.007092
    13  H    1.509234  -0.031488  -0.187975   0.118812   0.000552   0.007250
    14  H   -0.031488   2.331901   0.131893  -0.206613   0.002067   0.010048
    15  H   -0.187975   0.131893   2.196891  -0.634397   0.000517   0.002021
    16  H    0.118812  -0.206613  -0.634397   1.697195  -0.000157  -0.001259
    17  H    0.000552   0.002067   0.000517  -0.000157   0.839012  -0.073143
    18  H    0.007250   0.010048   0.002021  -0.001259  -0.073143   1.092625
    19  H   -0.024294  -0.007958  -0.000382  -0.000145  -0.063096  -0.181505
    20  H   -0.005896   0.008636   0.002757  -0.004629  -0.016655   0.010230
    21  H   -0.000707  -0.051909  -0.000464   0.007236  -0.004033  -0.003490
    22  H   -0.002480   0.034434   0.001848   0.000627   0.015377   0.002507
    23  H   -0.003622  -0.120683  -0.014026   0.006073   0.011001  -0.022894
    24  H   -0.013704  -0.008210   0.059718   0.004309   0.002299  -0.009091
    25  H    0.000021  -0.000324   0.000101  -0.000023   0.000129  -0.000267
    26  H   -0.000007   0.000034  -0.000041  -0.000000   0.000030  -0.000085
    27  H    0.000003  -0.000228   0.000095  -0.000004  -0.000682  -0.000628
              19         20         21         22         23         24
     1  C   -0.173925   0.038098  -0.002157   0.045407  -0.015573  -0.000450
     2  C    0.320301   0.235623   0.325033   0.075410  -0.047684  -0.070461
     3  C    0.019091   0.017702  -0.007359   0.001487  -0.482614  -0.000960
     4  C   -0.005292   0.008093  -0.004973  -0.013441  -0.983426  -0.736236
     5  C    0.001257   0.000391   0.001134   0.000194  -0.741714  -0.039342
     6  C    0.000541  -0.000023  -0.000018  -0.000049  -0.133863  -0.436126
     7  O   -0.000133   0.000003  -0.000001   0.000002   0.012840  -0.034209
     8  C    0.051276  -0.181742   0.227667  -0.025437  -0.003370   0.001209
     9  C    0.036583   0.006535  -0.037311   0.008944   0.031058   0.052635
    10  C   -0.011430   0.001654  -0.015708   0.001786  -0.010586  -0.089499
    11  C    0.000211  -0.000004   0.000004   0.000029  -0.126330   0.000209
    12  H    0.009799   0.049504  -0.030245   0.009440  -0.001513  -0.000645
    13  H   -0.024294  -0.005896  -0.000707  -0.002480  -0.003622  -0.013704
    14  H   -0.007958   0.008636  -0.051909   0.034434  -0.120683  -0.008210
    15  H   -0.000382   0.002757  -0.000464   0.001848  -0.014026   0.059718
    16  H   -0.000145  -0.004629   0.007236   0.000627   0.006073   0.004309
    17  H   -0.063096  -0.016655  -0.004033   0.015377   0.011001   0.002299
    18  H   -0.181505   0.010230  -0.003490   0.002507  -0.022894  -0.009091
    19  H    1.042790  -0.006392  -0.000280  -0.014182   0.000406   0.000845
    20  H   -0.006392   0.958212  -0.052830  -0.070474   0.001873   0.000033
    21  H   -0.000280  -0.052830   0.800053  -0.061452   0.000846   0.000304
    22  H   -0.014182  -0.070474  -0.061452   0.826832  -0.003190  -0.000060
    23  H    0.000406   0.001873   0.000846  -0.003190   3.183840   0.283606
    24  H    0.000845   0.000033   0.000304  -0.000060   0.283606   1.893013
    25  H    0.000040  -0.000000   0.000002   0.000001  -0.041291  -0.013988
    26  H   -0.000001  -0.000000   0.000000  -0.000000   0.032089   0.014089
    27  H    0.000134   0.000000   0.000002   0.000021  -0.037018  -0.012595
              25         26         27
     1  C   -0.000578  -0.000020   0.000530
     2  C    0.000497  -0.000091  -0.000766
     3  C    0.005334  -0.000882   0.000076
     4  C   -0.000622   0.045587   0.009495
     5  C   -0.075422   0.065547  -0.049317
     6  C    0.149644   0.117030   0.120332
     7  O    0.005377  -0.021968   0.006346
     8  C    0.000049   0.000002   0.000093
     9  C   -0.000073   0.000034  -0.000191
    10  C    0.000128  -0.000105   0.000226
    11  C    0.188790   0.210306   0.187889
    12  H    0.000001  -0.000000   0.000004
    13  H    0.000021  -0.000007   0.000003
    14  H   -0.000324   0.000034  -0.000228
    15  H    0.000101  -0.000041   0.000095
    16  H   -0.000023  -0.000000  -0.000004
    17  H    0.000129   0.000030  -0.000682
    18  H   -0.000267  -0.000085  -0.000628
    19  H    0.000040  -0.000001   0.000134
    20  H   -0.000000  -0.000000   0.000000
    21  H    0.000002   0.000000   0.000002
    22  H    0.000001  -0.000000   0.000021
    23  H   -0.041291   0.032089  -0.037018
    24  H   -0.013988   0.014089  -0.012595
    25  H    0.644847  -0.078875   0.067601
    26  H   -0.078875   1.126343  -0.070749
    27  H    0.067601  -0.070749   0.603473
 Mulliken charges:
               1
     1  C    1.464996
     2  C   -4.432971
     3  C    0.473812
     4  C   -0.021677
     5  C   -0.588543
     6  C   -0.241166
     7  O   -0.386084
     8  C    1.777311
     9  C    1.099674
    10  C    1.161774
    11  C    0.801472
    12  H   -0.398342
    13  H    0.066134
    14  H   -0.482762
    15  H   -0.621016
    16  H   -0.051049
    17  H    0.088063
    18  H   -0.057309
    19  H    0.005741
    20  H   -0.000699
    21  H   -0.089345
    22  H    0.166417
    23  H    0.225766
    24  H    0.153308
    25  H    0.148903
    26  H   -0.438268
    27  H    0.175859
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    1.501491
     2  C   -4.432971
     3  C   -0.008950
     4  C    0.204088
     5  C   -0.435235
     6  C   -0.241166
     7  O   -0.386084
     8  C    1.853685
     9  C    0.767467
    10  C    0.489708
    11  C    0.687966
 Electronic spatial extent (au):  <R**2>=           2376.5662
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -3.5625    Y=              1.9919    Z=             -1.3917  Tot=              4.3123
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -82.2851   YY=            -69.5834   ZZ=            -69.9132
   XY=              7.8995   XZ=             -4.3538   YZ=              0.4209
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -8.3579   YY=              4.3438   ZZ=              4.0140
   XY=              7.8995   XZ=             -4.3538   YZ=              0.4209
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=            -53.3314  YYY=             -1.2041  ZZZ=              0.3097  XYY=              0.3965
  XXY=             27.4331  XXZ=            -16.8245  XZZ=              0.4372  YZZ=              1.3787
  YYZ=             -1.5480  XYZ=              2.2527
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=          -2637.7048 YYYY=           -570.6731 ZZZZ=           -293.0961 XXXY=            113.7689
 XXXZ=            -72.9556 YYYX=             -1.2064 YYYZ=             -3.6388 ZZZX=              4.9697
 ZZZY=             -3.3382 XXYY=           -508.0914 XXZZ=           -453.4958 YYZZ=           -144.7761
 XXYZ=             20.9256 YYXZ=              1.3574 ZZXY=              2.1009
 N-N= 6.147292985747D+02 E-N=-2.307427246734D+03  KE= 4.602687148417D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Aug 12 21:05:04 2021, MaxMem=  5368709120 cpu:               1.9 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-1.35546403D+00 7.54876856D-01-5.22841286D-01
 Polarizability= 1.56096594D+02-4.54232330D+00 1.13939386D+02
                 6.47779059D+00-3.98160192D+00 9.80024603D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 6      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -3.9038   -3.9026       -2.8660   -2.8661
 2      3.9038    3.9026        2.1435    2.1419      -25.2819  -25.2862
 3      2.8660    2.8661       33.4255   33.4263       -2.1422   -2.1419
 4     -2.1435   -2.1419        0.0000    0.0000        2.8667    2.8661
 5     -8.1436   -8.1401       -2.8667   -2.8661       -3.8995   -3.9026
 6      2.1422    2.1419        3.8995    3.9026       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       11.7077   11.7077       -8.5984   -8.5984
 2     -6.4258   -6.4258       -0.0000    0.0000       -8.5984   -8.5984
 3     -6.4258   -6.4258       11.7077   11.7077       -0.0000    0.0000
 4     11.7077   11.7077        6.4258    6.4258      -75.8587  -75.8587
 5      8.5984    8.5984      100.2789  100.2789       -6.4258   -6.4258
 6    -24.4202  -24.4202       -8.5984   -8.5984      -11.7077  -11.7077
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0490    0.0000       15.5432   15.6103       11.3809   11.4645
 2    -15.6544  -15.6103       -8.5781   -8.5678      101.0794  101.1450
 3    -11.5972  -11.4645     -133.6470 -133.7052        8.5655    8.5678
 4      8.5843    8.5678       -0.0290    0.0000      -11.4695  -11.4645
 5     32.5071   32.5603       11.3434   11.4645       15.6177   15.6103
 6     -8.5936   -8.5678      -15.6751  -15.6103        0.0892    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0788    0.0000      -12.3613  -12.2830      -45.8031  -45.7580
 2     12.0435   12.2830      -10.2829  -10.1936       43.0313   43.2208
 3     45.8053   45.7580       19.1438   18.9998       10.2534   10.1936
 4     10.2297   10.1936        0.0369    0.0000       45.7910   45.7580
 5    -62.2745  -62.2206      -45.7977  -45.7580      -12.2575  -12.2830
 6    -10.2033  -10.1936       12.3244   12.2830       -0.0233    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     26.9101   26.7655       15.8287   15.7398       31.1096   31.0342
 2     42.3545   42.2418       13.1207   13.0368       31.1103   31.0342
 3     42.3609   42.2418       15.8478   15.7398       55.7267   55.5947
 4      2.6491    2.7030      -15.5835  -15.4763       43.1111   43.0124
 5     24.4429   24.5604       44.2235   44.0502       15.5364   15.4763
 6    -87.0814  -87.0625      -24.8386  -24.5604       -2.5106   -2.7030
 Full mass-weighted force constant matrix:
 Low frequencies ---   -0.0007    0.0002    0.0004    1.3636    4.2058    7.7124
 Low frequencies ---   34.4183   64.1305   77.5392
 Diagonal vibrational polarizability:
       20.7848993      12.8922940      65.1871880
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --     34.4020                64.1213                77.5359
 Red. masses --      4.0133                 2.8285                 3.4063
 Frc consts  --      0.0028                 0.0069                 0.0121
 IR Inten    --      3.3014                 0.3621                 0.7785
 RamAct Fr= 1--      1.7523                 0.4765                 0.7917
  Dep-P Fr= 1--      0.7425                 0.5407                 0.6415
  Dep-U Fr= 1--      0.8522                 0.7019                 0.7816
 Alpha2 Fr= 1--      0.0002                 0.0019                 0.0016
 Beta2  Fr= 1--      0.2489                 0.0557                 0.1031
 AlphaG Fr= 1--     -0.0024                -0.0051                -0.0112
 Gamma2 Fr= 1--      0.9831                -0.1532                 0.2134
 Delta2 Fr= 1--      0.4781                -0.0038                 0.1789
 Raman1 Fr= 1--       7.009                  1.906                  3.167
 ROA1   Fr= 1--     109.677                -14.827                 26.214
 CID1   Fr= 1--      15.648                 -7.780                  8.278
 Raman2 Fr= 1--       2.987                  0.669                  1.238
 ROA2   Fr= 1--      19.770                 -3.646                  3.691
 CID2   Fr= 1--       6.620                 -5.452                  2.983
 Raman3 Fr= 1--       5.973                  1.338                  2.475
 ROA3   Fr= 1--     109.677                -14.827                 26.214
 CID3   Fr= 1--      18.361                -11.084                 10.591
 RC180  Fr= 1--       0.704                  0.404                  0.563
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09  -0.07   0.07     0.03   0.10  -0.12     0.22  -0.05  -0.03
     2   6     0.04  -0.02   0.03     0.04   0.01  -0.00     0.07  -0.00  -0.01
     3   6    -0.02   0.03  -0.07    -0.02   0.03  -0.08    -0.02  -0.11  -0.04
     4   6    -0.01   0.00  -0.10    -0.01   0.01  -0.08    -0.02  -0.12  -0.10
     5   6    -0.05   0.04   0.02    -0.04  -0.01  -0.05    -0.01  -0.07  -0.06
     6   6    -0.05   0.03   0.04    -0.04  -0.03   0.03    -0.05   0.03   0.01
     7   8    -0.12   0.10   0.26    -0.07  -0.06   0.02    -0.00   0.09   0.01
     8   6     0.01   0.03   0.12    -0.06  -0.13   0.11     0.08   0.14   0.03
     9   6     0.07  -0.06  -0.05     0.21   0.04   0.05    -0.04   0.01   0.01
    10   6    -0.01   0.01  -0.13     0.01   0.03  -0.05    -0.06  -0.07   0.03
    11   6     0.04  -0.08  -0.22    -0.02   0.00   0.14    -0.18   0.10   0.12
    12   1     0.08  -0.07  -0.01     0.27   0.02   0.26    -0.07   0.09  -0.02
    13   1     0.12  -0.12  -0.09     0.38   0.09  -0.08    -0.06  -0.02   0.03
    14   1    -0.07   0.10  -0.04    -0.05   0.05  -0.06    -0.07  -0.14  -0.04
    15   1    -0.01  -0.02  -0.22     0.00  -0.02  -0.20    -0.07  -0.07   0.07
    16   1    -0.06   0.06  -0.12    -0.12   0.09   0.04    -0.07  -0.09   0.06
    17   1     0.07  -0.04   0.12    -0.09   0.07  -0.19     0.30  -0.07  -0.03
    18   1     0.12  -0.11   0.01     0.08   0.20  -0.19     0.21  -0.16  -0.06
    19   1     0.13  -0.11   0.13     0.08   0.10  -0.08     0.27   0.03  -0.01
    20   1     0.05  -0.00   0.17    -0.00  -0.16   0.18     0.14   0.23   0.05
    21   1    -0.03   0.07   0.08    -0.06  -0.18   0.19    -0.03   0.17   0.05
    22   1    -0.02   0.07   0.16    -0.20  -0.15   0.06     0.16   0.12   0.02
    23   1     0.03  -0.04  -0.21     0.00   0.01  -0.07    -0.03  -0.13  -0.14
    24   1    -0.09   0.09   0.15    -0.06  -0.01  -0.07     0.03  -0.07  -0.03
    25   1     0.11  -0.29  -0.26    -0.00   0.09   0.15    -0.19   0.19   0.13
    26   1     0.04  -0.08  -0.19    -0.03  -0.02   0.18    -0.19   0.18   0.13
    27   1     0.05   0.05  -0.40    -0.03  -0.04   0.19    -0.24  -0.00   0.19
                      4                      5                      6
                      A                      A                      A
 Frequencies --    128.2250               147.9504               169.2586
 Red. masses --      1.0267                 3.5228                 3.0842
 Frc consts  --      0.0099                 0.0454                 0.0521
 IR Inten    --      0.0183                 1.4253                 2.5397
 RamAct Fr= 1--      0.0896                 0.4655                 0.4922
  Dep-P Fr= 1--      0.7192                 0.7495                 0.6750
  Dep-U Fr= 1--      0.8367                 0.8568                 0.8060
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0007
 Beta2  Fr= 1--      0.0125                 0.0665                 0.0661
 AlphaG Fr= 1--     -0.0004                -0.0015                -0.0043
 Gamma2 Fr= 1--     -0.0010                -0.6874                 0.8610
 Delta2 Fr= 1--      0.0246                -0.0612                 0.0251
 Raman1 Fr= 1--       0.359                  1.862                  1.969
 ROA1   Fr= 1--       0.687                -67.953                 83.454
 CID1   Fr= 1--       1.916                -36.496                 42.386
 Raman2 Fr= 1--       0.150                  0.798                  0.793
 ROA2   Fr= 1--      -0.221                -16.008                 20.462
 CID2   Fr= 1--      -1.476                -20.070                 25.788
 Raman3 Fr= 1--       0.300                  1.595                  1.587
 ROA3   Fr= 1--       0.687                -67.953                 83.454
 CID3   Fr= 1--       2.290                -42.596                 52.588
 RC180  Fr= 1--       0.673                  0.714                  0.612
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.05  -0.01  -0.03     0.05  -0.07  -0.00
     2   6     0.00   0.00   0.00     0.02  -0.01  -0.02    -0.02  -0.03  -0.01
     3   6    -0.00   0.00   0.00     0.01  -0.00  -0.04    -0.03  -0.05  -0.02
     4   6    -0.00   0.00   0.01     0.00  -0.03  -0.00    -0.04   0.09  -0.16
     5   6     0.00  -0.00   0.00    -0.10   0.10   0.37    -0.06   0.17  -0.02
     6   6    -0.00   0.00   0.01    -0.03   0.02   0.08    -0.02   0.05  -0.01
     7   8     0.01  -0.01  -0.03     0.06  -0.04  -0.17    -0.13  -0.09  -0.03
     8   6    -0.00   0.00   0.00     0.01   0.00   0.01    -0.01   0.02   0.01
     9   6     0.00   0.00   0.00     0.04  -0.02  -0.03    -0.05  -0.02   0.02
    10   6    -0.00   0.00   0.00    -0.02  -0.00  -0.07     0.12  -0.04   0.13
    11   6    -0.01   0.00   0.01    -0.06   0.00  -0.01     0.17   0.02   0.08
    12   1     0.00   0.00   0.01     0.05  -0.01   0.01    -0.08  -0.05  -0.12
    13   1     0.00   0.00   0.00     0.08  -0.04  -0.06    -0.19   0.03   0.12
    14   1     0.00   0.00   0.00     0.02   0.03  -0.04    -0.14  -0.18  -0.01
    15   1    -0.00  -0.00  -0.00    -0.04  -0.04  -0.14     0.21   0.10   0.27
    16   1    -0.01   0.00   0.00    -0.07   0.05  -0.07     0.24  -0.24   0.13
    17   1     0.00   0.00  -0.00     0.05  -0.02  -0.04     0.07  -0.06   0.01
    18   1     0.00   0.00   0.00     0.05  -0.02  -0.04     0.05  -0.12  -0.03
    19   1     0.00   0.00   0.00     0.06   0.01  -0.02     0.08  -0.06   0.02
    20   1     0.00   0.00   0.00     0.03  -0.00   0.02     0.01   0.07   0.01
    21   1    -0.00   0.00   0.00    -0.00   0.01   0.00    -0.06   0.03   0.02
    22   1    -0.00   0.00   0.00     0.00   0.01   0.01     0.02   0.01  -0.01
    23   1    -0.00   0.01   0.02     0.11  -0.16  -0.33    -0.07   0.04  -0.34
    24   1     0.01  -0.01  -0.02    -0.18   0.22   0.68    -0.11   0.23   0.11
    25   1     0.52  -0.23  -0.11    -0.12  -0.06  -0.01     0.26   0.08   0.07
    26   1    -0.14   0.19   0.50    -0.04   0.00  -0.11     0.17  -0.10   0.16
    27   1    -0.39   0.01  -0.45    -0.02   0.04  -0.02     0.20   0.06   0.06
                      7                      8                      9
                      A                      A                      A
 Frequencies --    237.0555               254.0247               269.2980
 Red. masses --      1.4304                 1.9393                 1.2521
 Frc consts  --      0.0474                 0.0737                 0.0535
 IR Inten    --      0.0380                 0.2095                 0.0712
 RamAct Fr= 1--      0.5576                 2.3893                 1.3897
  Dep-P Fr= 1--      0.7436                 0.1457                 0.1983
  Dep-U Fr= 1--      0.8530                 0.2544                 0.3310
 Alpha2 Fr= 1--      0.0001                 0.0373                 0.0190
 Beta2  Fr= 1--      0.0793                 0.1013                 0.0767
 AlphaG Fr= 1--     -0.0014                 0.0293                 0.0594
 Gamma2 Fr= 1--     -0.2139                -0.0191                 0.5275
 Delta2 Fr= 1--      0.0664                 0.1793                -0.0752
 Raman1 Fr= 1--       2.231                  9.557                  5.559
 ROA1   Fr= 1--     -18.407                  3.901                 48.231
 CID1   Fr= 1--      -8.252                  0.408                  8.676
 Raman2 Fr= 1--       0.951                  1.215                  0.920
 ROA2   Fr= 1--      -5.664                 -1.894                 13.260
 CID2   Fr= 1--      -5.954                 -1.558                 14.413
 Raman3 Fr= 1--       1.903                  2.431                  1.840
 ROA3   Fr= 1--     -18.407                  3.901                 48.231
 CID3   Fr= 1--      -9.674                  1.605                 26.213
 RC180  Fr= 1--       0.706                 -0.491                 -0.338
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06   0.01  -0.09     0.01  -0.01  -0.06     0.04  -0.01  -0.02
     2   6    -0.02  -0.02  -0.00    -0.04  -0.01  -0.02     0.00  -0.02   0.02
     3   6    -0.01  -0.00   0.01    -0.03  -0.04  -0.01    -0.00   0.01   0.02
     4   6    -0.01   0.01   0.05     0.00  -0.05   0.01    -0.03   0.06   0.08
     5   6     0.02   0.01   0.00     0.05   0.01   0.01    -0.02   0.02   0.00
     6   6     0.02   0.02   0.01     0.08   0.03   0.01    -0.03   0.01   0.01
     7   8     0.02   0.01   0.00     0.08   0.03   0.01    -0.04  -0.01  -0.01
     8   6    -0.07  -0.01   0.08    -0.09   0.01   0.07     0.03  -0.01  -0.02
     9   6    -0.05  -0.03  -0.02    -0.08  -0.00  -0.02     0.02  -0.04   0.00
    10   6    -0.02  -0.01  -0.02    -0.12  -0.02  -0.03     0.01  -0.01  -0.02
    11   6     0.05   0.01   0.00     0.13   0.03   0.03    -0.01  -0.00  -0.02
    12   1    -0.07  -0.03  -0.08    -0.10   0.04  -0.02     0.03  -0.06   0.01
    13   1    -0.09  -0.07   0.00    -0.07  -0.04  -0.03     0.04  -0.05  -0.01
    14   1     0.02   0.01   0.00     0.01  -0.02  -0.02     0.02   0.04   0.02
    15   1    -0.02  -0.01  -0.02    -0.16  -0.08  -0.05     0.01  -0.02  -0.05
    16   1    -0.01  -0.00  -0.05    -0.15   0.05  -0.05     0.01   0.02  -0.04
    17   1     0.48  -0.17  -0.26    -0.33   0.07  -0.02     0.22  -0.08  -0.08
    18   1    -0.13  -0.15   0.20     0.20   0.11  -0.36    -0.03  -0.08   0.09
    19   1    -0.07   0.40  -0.35     0.20  -0.21   0.19    -0.01   0.15  -0.12
    20   1    -0.07  -0.23   0.16     0.06   0.26   0.14     0.14   0.50  -0.09
    21   1    -0.00   0.07  -0.07    -0.29  -0.07   0.31    -0.21  -0.17   0.36
    22   1    -0.19   0.14   0.24    -0.10  -0.14  -0.12     0.20  -0.33  -0.40
    23   1    -0.03   0.03   0.11    -0.02  -0.04  -0.01    -0.06   0.10   0.18
    24   1     0.04  -0.01  -0.04     0.09   0.01   0.03    -0.01  -0.01  -0.10
    25   1     0.06   0.01   0.00     0.16   0.05   0.03    -0.02  -0.02  -0.02
    26   1     0.06  -0.02   0.00     0.14  -0.03   0.05    -0.00  -0.02  -0.03
    27   1     0.07   0.03  -0.00     0.16   0.05   0.03     0.01   0.02  -0.03
                     10                     11                     12
                      A                      A                      A
 Frequencies --    277.1663               307.8571               346.9303
 Red. masses --      1.9857                 1.8985                 2.2429
 Frc consts  --      0.0899                 0.1060                 0.1591
 IR Inten    --      0.1475                 0.3473                 0.0451
 RamAct Fr= 1--      1.5976                 1.7284                 1.0068
  Dep-P Fr= 1--      0.2258                 0.3361                 0.3558
  Dep-U Fr= 1--      0.3684                 0.5031                 0.5248
 Alpha2 Fr= 1--      0.0202                 0.0159                 0.0087
 Beta2  Fr= 1--      0.0981                 0.1449                 0.0881
 AlphaG Fr= 1--      0.0016                 0.0630                -0.0557
 Gamma2 Fr= 1--      1.2691                -0.4388                -0.1968
 Delta2 Fr= 1--      0.1038                 0.1163                -0.0479
 Raman1 Fr= 1--       6.390                  6.914                  4.027
 ROA1   Fr= 1--     125.150                -38.405                -20.429
 CID1   Fr= 1--      19.584                 -5.555                 -5.073
 Raman2 Fr= 1--       1.177                  1.739                  1.057
 ROA2   Fr= 1--      29.627                -11.462                 -4.341
 CID2   Fr= 1--      25.172                 -6.591                 -4.108
 Raman3 Fr= 1--       2.354                  3.478                  2.114
 ROA3   Fr= 1--     125.150                -38.405                -20.429
 CID3   Fr= 1--      53.165                -11.042                 -9.666
 RC180  Fr= 1--      -0.263                  0.006                  0.050
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06  -0.00  -0.08     0.09  -0.04  -0.04    -0.14  -0.02  -0.03
     2   6    -0.01   0.00  -0.05     0.01  -0.03  -0.01    -0.04  -0.04  -0.06
     3   6     0.03   0.03  -0.01    -0.02  -0.04   0.02    -0.01  -0.08  -0.04
     4   6     0.00   0.06   0.10    -0.08   0.05   0.14    -0.03  -0.03   0.03
     5   6    -0.02  -0.03   0.02    -0.03   0.05   0.01     0.00  -0.01   0.01
     6   6    -0.03  -0.03   0.02    -0.04   0.05   0.01     0.01   0.01   0.02
     7   8    -0.00  -0.02   0.00    -0.06  -0.01  -0.03     0.02   0.01  -0.01
     8   6    -0.07   0.04   0.07     0.06   0.00  -0.08    -0.03   0.21   0.03
     9   6    -0.02  -0.01  -0.06     0.04  -0.01   0.04     0.13  -0.02   0.01
    10   6     0.16   0.01   0.02    -0.07  -0.04  -0.00     0.05  -0.07   0.01
    11   6    -0.10  -0.04  -0.03     0.06   0.02  -0.02     0.03  -0.00   0.00
    12   1    -0.06  -0.06  -0.23     0.08   0.01   0.17     0.22  -0.11   0.22
    13   1    -0.17   0.01   0.04     0.15   0.03  -0.04     0.28   0.15  -0.09
    14   1     0.09  -0.02  -0.03     0.04  -0.03   0.01     0.03  -0.13  -0.06
    15   1     0.25   0.14   0.14    -0.13  -0.13  -0.08     0.07  -0.07  -0.03
    16   1     0.29  -0.15  -0.00    -0.17   0.06   0.02    -0.01  -0.08   0.08
    17   1    -0.23   0.06  -0.06    -0.12   0.01  -0.02    -0.10  -0.02  -0.02
    18   1     0.22   0.08  -0.36     0.22   0.00  -0.27    -0.21   0.03   0.12
    19   1     0.24  -0.15   0.14     0.25  -0.15   0.14    -0.27  -0.04  -0.15
    20   1     0.01  -0.01   0.17    -0.08  -0.24  -0.14     0.08   0.31   0.12
    21   1    -0.13   0.06   0.06     0.23   0.11  -0.34    -0.27   0.37  -0.05
    22   1    -0.16   0.08   0.11     0.09   0.17   0.14     0.11   0.27   0.14
    23   1     0.01   0.10   0.24    -0.18   0.14   0.32    -0.06  -0.00   0.09
    24   1    -0.01  -0.06  -0.10     0.04  -0.02  -0.17     0.05  -0.03  -0.04
    25   1    -0.16  -0.09  -0.03     0.06  -0.00  -0.02     0.02  -0.01  -0.00
    26   1    -0.10   0.03  -0.09     0.07  -0.06  -0.03     0.03  -0.03  -0.01
    27   1    -0.12  -0.04  -0.04     0.12   0.09  -0.04     0.05   0.02  -0.01
                     13                     14                     15
                      A                      A                      A
 Frequencies --    373.1294               442.9297               469.9913
 Red. masses --      2.2187                 2.4928                 2.8109
 Frc consts  --      0.1820                 0.2881                 0.3658
 IR Inten    --      0.0703                 0.2444                 1.8502
 RamAct Fr= 1--      0.6546                 2.4769                 0.2035
  Dep-P Fr= 1--      0.4719                 0.4122                 0.4639
  Dep-U Fr= 1--      0.6412                 0.5838                 0.6337
 Alpha2 Fr= 1--      0.0037                 0.0176                 0.0012
 Beta2  Fr= 1--      0.0700                 0.2410                 0.0215
 AlphaG Fr= 1--      0.0058                 0.0698                -0.0149
 Gamma2 Fr= 1--     -0.2025                -0.1869                 0.2799
 Delta2 Fr= 1--     -0.1469                -0.2763                -0.0401
 Raman1 Fr= 1--       2.619                  9.907                  0.814
 ROA1   Fr= 1--     -24.143                -26.784                 25.592
 CID1   Fr= 1--      -9.220                 -2.703                 31.440
 Raman2 Fr= 1--       0.840                  2.892                  0.258
 ROA2   Fr= 1--      -3.686                 -2.276                  7.039
 CID2   Fr= 1--      -4.390                 -0.787                 27.290
 Raman3 Fr= 1--       1.679                  5.784                  0.516
 ROA3   Fr= 1--     -24.143                -26.784                 25.592
 CID3   Fr= 1--     -14.379                 -4.631                 49.610
 RC180  Fr= 1--       0.282                  0.168                  0.267
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07   0.15  -0.08    -0.04   0.06   0.06    -0.03  -0.03  -0.02
     2   6     0.05  -0.05   0.12     0.16   0.05  -0.08     0.05  -0.03  -0.04
     3   6     0.00  -0.00   0.06     0.06  -0.10  -0.07     0.07  -0.06   0.00
     4   6     0.00  -0.01  -0.03    -0.02  -0.05   0.06     0.04   0.16  -0.05
     5   6    -0.00   0.01  -0.01    -0.01  -0.02   0.03     0.06   0.18  -0.05
     6   6    -0.01   0.01  -0.02    -0.08   0.07   0.03     0.11  -0.02   0.06
     7   8    -0.04  -0.01  -0.00    -0.09  -0.01  -0.05     0.04  -0.13   0.05
     8   6     0.13   0.04   0.05     0.08  -0.05   0.09     0.03  -0.00   0.04
     9   6    -0.05  -0.15  -0.00    -0.03   0.09  -0.08    -0.04   0.02   0.01
    10   6     0.01  -0.04  -0.05    -0.02  -0.05  -0.01    -0.10  -0.05   0.02
    11   6    -0.00   0.01   0.00     0.04   0.04  -0.02    -0.12  -0.01  -0.03
    12   1    -0.11  -0.12  -0.16    -0.13   0.27  -0.21    -0.06   0.11   0.04
    13   1    -0.14  -0.32   0.07    -0.15  -0.03   0.00    -0.02   0.00  -0.00
    14   1    -0.07   0.08   0.10     0.10  -0.12  -0.09     0.06  -0.14  -0.01
    15   1     0.02  -0.03  -0.06    -0.04  -0.04   0.13    -0.26  -0.24  -0.00
    16   1     0.05  -0.02  -0.11     0.02  -0.11  -0.00    -0.19   0.15  -0.02
    17   1    -0.33   0.02  -0.32    -0.05   0.15   0.19    -0.06  -0.01   0.00
    18   1     0.04   0.49  -0.13    -0.13   0.15   0.26    -0.05   0.03   0.04
    19   1    -0.05   0.19  -0.07    -0.25  -0.13  -0.08    -0.11  -0.10  -0.07
    20   1     0.08   0.06  -0.01     0.20  -0.11   0.25     0.11  -0.01   0.14
    21   1     0.12   0.12  -0.05     0.04  -0.12   0.21    -0.06   0.03   0.05
    22   1     0.28   0.08   0.13    -0.15  -0.06   0.04    -0.02   0.02   0.07
    23   1     0.00  -0.03  -0.09    -0.08   0.03   0.25    -0.14   0.20  -0.06
    24   1    -0.01   0.03   0.05     0.11  -0.10  -0.14    -0.08   0.17  -0.14
    25   1     0.02   0.04   0.00     0.06  -0.02  -0.03    -0.32  -0.19  -0.02
    26   1    -0.00   0.00   0.02     0.07  -0.10  -0.04    -0.14   0.35  -0.20
    27   1    -0.01   0.00   0.01     0.15   0.16  -0.07    -0.29  -0.14  -0.05
                     16                     17                     18
                      A                      A                      A
 Frequencies --    529.8795               571.1037               592.5872
 Red. masses --      3.4216                 2.8922                 2.7614
 Frc consts  --      0.5660                 0.5558                 0.5713
 IR Inten    --      7.5931                11.4302                 0.7370
 RamAct Fr= 1--      2.2590                10.0576                 1.0222
  Dep-P Fr= 1--      0.3815                 0.0863                 0.0714
  Dep-U Fr= 1--      0.5523                 0.1589                 0.1333
 Alpha2 Fr= 1--      0.0179                 0.1821                 0.0192
 Beta2  Fr= 1--      0.2079                 0.2664                 0.0227
 AlphaG Fr= 1--      0.0025                 0.1992                -0.1595
 Gamma2 Fr= 1--      0.4018                 0.0753                -0.6062
 Delta2 Fr= 1--      0.1620                 0.0501                 0.1455
 Raman1 Fr= 1--       9.036                 40.231                  4.089
 ROA1   Fr= 1--      43.756                  8.831                -53.540
 CID1   Fr= 1--       4.842                  0.220                -13.095
 Raman2 Fr= 1--       2.495                  3.196                  0.273
 ROA2   Fr= 1--       8.347                  1.406                -15.714
 CID2   Fr= 1--       3.345                  0.440                -57.655
 Raman3 Fr= 1--       4.991                  6.393                  0.545
 ROA3   Fr= 1--      43.756                  8.831                -53.540
 CID3   Fr= 1--       8.767                  1.381                -98.222
 RC180  Fr= 1--       0.105                 -0.682                 -0.733
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.05   0.04    -0.04  -0.10  -0.07    -0.04  -0.10  -0.07
     2   6     0.02   0.02   0.04     0.06  -0.06  -0.06    -0.02  -0.06   0.01
     3   6    -0.14  -0.02  -0.11     0.08   0.02   0.02     0.09   0.07   0.01
     4   6    -0.13   0.05  -0.08     0.02   0.14   0.01     0.12  -0.01  -0.09
     5   6    -0.10   0.04  -0.05    -0.11  -0.01   0.01     0.03  -0.08  -0.05
     6   6    -0.01  -0.02   0.20    -0.08  -0.10  -0.13    -0.11   0.09   0.20
     7   8     0.23   0.08  -0.03     0.05   0.16  -0.00    -0.03  -0.01  -0.09
     8   6     0.05  -0.02  -0.00     0.07  -0.01   0.05     0.00   0.00   0.01
     9   6     0.00  -0.01  -0.00    -0.02   0.03   0.03    -0.03  -0.01   0.08
    10   6    -0.00  -0.03  -0.00    -0.02   0.03   0.04    -0.00   0.10   0.05
    11   6     0.01  -0.14   0.05     0.00  -0.13   0.04    -0.01   0.03   0.01
    12   1    -0.03   0.03  -0.06    -0.07   0.09  -0.04    -0.04  -0.05  -0.01
    13   1    -0.04  -0.07   0.03    -0.09   0.05   0.08    -0.09   0.03   0.12
    14   1    -0.26  -0.00  -0.07     0.10  -0.05   0.00     0.01   0.05   0.03
    15   1     0.14   0.15   0.06    -0.18  -0.17  -0.03    -0.13  -0.07  -0.08
    16   1     0.07  -0.26   0.09    -0.12   0.24   0.00    -0.11   0.30   0.02
    17   1    -0.01   0.05   0.03    -0.08  -0.08  -0.05    -0.05  -0.15  -0.13
    18   1     0.01   0.09   0.07    -0.06  -0.03  -0.01    -0.02  -0.09  -0.10
    19   1    -0.02   0.04   0.01    -0.12  -0.18  -0.12    -0.01  -0.05  -0.05
    20   1    -0.03  -0.03  -0.08     0.18  -0.01   0.16     0.04   0.05   0.04
    21   1     0.14  -0.05  -0.02    -0.05   0.04   0.04    -0.09   0.07  -0.03
    22   1     0.08  -0.04  -0.02     0.05   0.02   0.09     0.08   0.03   0.06
    23   1    -0.25   0.16   0.17     0.09   0.10  -0.07     0.22  -0.00   0.01
    24   1    -0.14  -0.06  -0.36    -0.32   0.04   0.08     0.06  -0.13  -0.18
    25   1    -0.07  -0.40   0.03     0.21   0.21   0.05    -0.05  -0.37  -0.03
    26   1     0.05  -0.22  -0.10    -0.01  -0.36   0.29     0.07  -0.18  -0.20
    27   1     0.14   0.07  -0.10     0.05  -0.19   0.18     0.24   0.40  -0.24
                     19                     20                     21
                      A                      A                      A
 Frequencies --    642.8687               734.4497               804.5644
 Red. masses --      3.0557                 1.4617                 2.3306
 Frc consts  --      0.7441                 0.4646                 0.8889
 IR Inten    --      4.5884                 1.7872                 1.0794
 RamAct Fr= 1--     12.3442                 3.7913                10.0052
  Dep-P Fr= 1--      0.1372                 0.0276                 0.0393
  Dep-U Fr= 1--      0.2413                 0.0536                 0.0757
 Alpha2 Fr= 1--      0.1971                 0.0790                 0.2027
 Beta2  Fr= 1--      0.4965                 0.0339                 0.1262
 AlphaG Fr= 1--      0.0308                -0.0251                -0.3096
 Gamma2 Fr= 1--      0.9788                -0.4811                 0.5273
 Delta2 Fr= 1--      0.9488                -0.0537                -0.7354
 Raman1 Fr= 1--      49.377                 15.165                 40.021
 ROA1   Fr= 1--     124.330                -47.904                 27.083
 CID1   Fr= 1--       2.518                 -3.159                  0.677
 Raman2 Fr= 1--       5.958                  0.407                  1.515
 ROA2   Fr= 1--      15.901                -11.117                 18.538
 CID2   Fr= 1--       2.669                -27.337                 12.237
 Raman3 Fr= 1--      11.916                  0.813                  3.030
 ROA3   Fr= 1--     124.330                -47.904                 27.083
 CID3   Fr= 1--      10.434                -58.898                  8.939
 RC180  Fr= 1--      -0.517                 -0.893                 -0.849
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06   0.15   0.10    -0.02  -0.05  -0.03     0.00  -0.02  -0.04
     2   6    -0.05   0.08   0.02    -0.01  -0.01   0.02     0.05   0.04  -0.08
     3   6     0.15  -0.10   0.12    -0.01   0.05   0.09    -0.07  -0.00   0.21
     4   6     0.08   0.07  -0.05     0.02   0.02  -0.00    -0.13  -0.07   0.06
     5   6    -0.00   0.01  -0.04     0.02  -0.00  -0.02     0.02   0.02  -0.12
     6   6    -0.10   0.00   0.03    -0.02   0.01   0.02     0.01   0.04   0.03
     7   8    -0.01   0.06  -0.04    -0.01   0.01  -0.01     0.01   0.01  -0.01
     8   6    -0.14   0.04  -0.06     0.05  -0.01   0.03     0.03   0.01  -0.01
     9   6     0.01  -0.07  -0.08    -0.05   0.07  -0.08     0.03   0.01  -0.02
    10   6     0.02  -0.15  -0.00    -0.05  -0.06  -0.03     0.07   0.02  -0.03
    11   6    -0.03  -0.07   0.03    -0.01  -0.01   0.01    -0.00  -0.04   0.06
    12   1     0.08  -0.13   0.10     0.06   0.17   0.41     0.00  -0.01  -0.16
    13   1     0.14  -0.03  -0.17     0.34   0.10  -0.36    -0.08   0.07   0.06
    14   1     0.14  -0.23   0.09    -0.04   0.14   0.12     0.03   0.00   0.18
    15   1    -0.20  -0.38   0.04     0.06   0.19   0.37     0.06  -0.06  -0.29
    16   1    -0.01   0.13  -0.17     0.28  -0.33  -0.19    -0.03   0.25  -0.08
    17   1     0.10   0.14   0.10    -0.03  -0.09  -0.09     0.02   0.09   0.12
    18   1     0.08   0.07   0.03    -0.00  -0.04  -0.07    -0.04  -0.07   0.02
    19   1     0.14   0.22   0.16     0.01   0.01  -0.01    -0.08  -0.19  -0.07
    20   1    -0.17  -0.01  -0.07     0.07  -0.02   0.06     0.14  -0.07   0.13
    21   1    -0.07  -0.03  -0.01     0.04  -0.02   0.04    -0.01  -0.03   0.06
    22   1    -0.25   0.01  -0.11     0.04  -0.01   0.04    -0.16   0.03  -0.02
    23   1     0.03   0.05  -0.12     0.06  -0.02  -0.10    -0.18  -0.20  -0.39
    24   1    -0.14   0.03  -0.04    -0.01   0.03   0.06    -0.00   0.18   0.34
    25   1     0.04  -0.12   0.01    -0.01  -0.07   0.00    -0.10  -0.30   0.03
    26   1     0.01  -0.27   0.04     0.00  -0.06  -0.02     0.02  -0.01  -0.10
    27   1     0.11   0.08  -0.03     0.03   0.04  -0.03     0.00   0.06  -0.09
                     22                     23                     24
                      A                      A                      A
 Frequencies --    818.7282               859.2869               892.4254
 Red. masses --      3.4602                 2.4072                 1.8324
 Frc consts  --      1.3666                 1.0472                 0.8598
 IR Inten    --      2.8623                 2.7187                 0.2732
 RamAct Fr= 1--      9.5696                34.1576                 5.3189
  Dep-P Fr= 1--      0.6549                 0.6040                 0.5609
  Dep-U Fr= 1--      0.7915                 0.7531                 0.7187
 Alpha2 Fr= 1--      0.0163                 0.0921                 0.0191
 Beta2  Fr= 1--      1.2624                 4.2873                 0.6371
 AlphaG Fr= 1--     -0.0269                 0.2352                 0.2548
 Gamma2 Fr= 1--     -2.4255                 6.4550                -2.7983
 Delta2 Fr= 1--      0.0075                 0.6542                -1.2214
 Raman1 Fr= 1--      38.278                136.631                 21.275
 ROA1   Fr= 1--    -232.612                640.618               -307.720
 CID1   Fr= 1--      -6.077                  4.689                -14.464
 Raman2 Fr= 1--      15.149                 51.448                  7.645
 ROA2   Fr= 1--     -58.273                149.687                -57.387
 CID2   Fr= 1--      -3.847                  2.909                 -7.507
 Raman3 Fr= 1--      30.297                102.896                 15.290
 ROA3   Fr= 1--    -232.612                640.618               -307.720
 CID3   Fr= 1--      -7.678                  6.226                -20.126
 RC180  Fr= 1--       0.583                  0.506                  0.437
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.01  -0.01    -0.06  -0.05   0.02     0.01   0.01  -0.02
     2   6     0.03   0.01  -0.04    -0.12   0.00   0.11     0.02   0.03  -0.05
     3   6    -0.02   0.04   0.07     0.06  -0.10   0.02     0.02  -0.03   0.09
     4   6    -0.04   0.09  -0.02    -0.07  -0.06  -0.03    -0.03  -0.07  -0.10
     5   6    -0.19  -0.16  -0.03    -0.04   0.02   0.02    -0.05   0.04   0.08
     6   6     0.01  -0.13   0.06     0.01  -0.01   0.00     0.01  -0.00   0.00
     7   8     0.09  -0.08   0.05     0.02  -0.01   0.01     0.01  -0.00   0.01
     8   6     0.01   0.00  -0.01     0.06  -0.02   0.08     0.03   0.01  -0.03
     9   6     0.01  -0.01  -0.04     0.02   0.15  -0.14    -0.07  -0.09   0.02
    10   6     0.02  -0.07   0.03     0.09   0.06  -0.01     0.02   0.13   0.01
    11   6     0.05   0.28  -0.08     0.02   0.01  -0.01     0.02  -0.01  -0.03
    12   1     0.02  -0.01   0.00     0.05   0.04  -0.18     0.07  -0.25   0.29
    13   1     0.02   0.04  -0.04    -0.05   0.30  -0.09     0.20  -0.01  -0.17
    14   1    -0.08  -0.04   0.07     0.01  -0.22   0.01    -0.10  -0.15   0.10
    15   1    -0.09  -0.20   0.02    -0.13  -0.21  -0.07    -0.02   0.10   0.05
    16   1    -0.01   0.07  -0.05    -0.05   0.35  -0.07     0.18   0.22  -0.22
    17   1     0.01   0.05   0.05    -0.02  -0.25  -0.26     0.01   0.08   0.09
    18   1    -0.01   0.01   0.03     0.04  -0.07  -0.18    -0.02  -0.02   0.03
    19   1    -0.03  -0.05  -0.02     0.15   0.29   0.12    -0.05  -0.11  -0.04
    20   1     0.06  -0.04   0.06    -0.09   0.03  -0.10     0.16  -0.10   0.15
    21   1    -0.00  -0.02   0.03     0.18  -0.04   0.03    -0.02  -0.04   0.09
    22   1    -0.08   0.01  -0.02     0.24  -0.07   0.06    -0.23   0.04  -0.04
    23   1     0.13   0.02  -0.10    -0.21  -0.01   0.05    -0.19   0.08   0.26
    24   1    -0.54  -0.09   0.03    -0.01  -0.04  -0.14     0.09  -0.15  -0.41
    25   1     0.12   0.27  -0.09    -0.00   0.05  -0.00     0.01   0.14  -0.00
    26   1     0.07   0.25  -0.11     0.01   0.06   0.00    -0.01   0.07   0.05
    27   1     0.15   0.38  -0.11    -0.02  -0.04   0.02    -0.06  -0.13   0.07
                     25                     26                     27
                      A                      A                      A
 Frequencies --    909.0954               941.9946               956.7925
 Red. masses --      2.1648                 2.2409                 1.5722
 Frc consts  --      1.0541                 1.1716                 0.8480
 IR Inten    --      0.8039                 4.1175                 0.4144
 RamAct Fr= 1--      5.5859                17.2452                 4.0328
  Dep-P Fr= 1--      0.6063                 0.3260                 0.5052
  Dep-U Fr= 1--      0.7549                 0.4917                 0.6713
 Alpha2 Fr= 1--      0.0148                 0.1634                 0.0194
 Beta2  Fr= 1--      0.7028                 1.4133                 0.4512
 AlphaG Fr= 1--      0.3139                 0.5239                 0.0116
 Gamma2 Fr= 1--      1.6394                -0.5217                 1.0036
 Delta2 Fr= 1--     -0.6663                -1.8402                 0.2032
 Raman1 Fr= 1--      22.343                 68.981                 16.131
 ROA1   Fr= 1--     136.059               -108.970                102.844
 CID1   Fr= 1--       6.089                 -1.580                  6.375
 Raman2 Fr= 1--       8.434                 16.960                  5.414
 ROA2   Fr= 1--      44.675                  2.200                 22.460
 CID2   Fr= 1--       5.297                  0.130                  4.148
 Raman3 Fr= 1--      16.867                 33.919                 10.828
 ROA3   Fr= 1--     136.059               -108.970                102.844
 CID3   Fr= 1--       8.067                 -3.213                  9.498
 RC180  Fr= 1--       0.510                 -0.017                  0.343
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.05   0.03    -0.05   0.02  -0.02    -0.05   0.11   0.02
     2   6    -0.06  -0.01  -0.03    -0.06   0.07  -0.06    -0.06  -0.04  -0.06
     3   6     0.05  -0.08  -0.13    -0.08   0.10  -0.01    -0.01   0.01  -0.00
     4   6    -0.05   0.04   0.11     0.03   0.01  -0.01     0.01   0.00  -0.01
     5   6     0.01  -0.03  -0.09     0.02  -0.01   0.02     0.00   0.00   0.01
     6   6    -0.00  -0.01   0.00     0.01   0.03  -0.01    -0.00   0.00   0.00
     7   8     0.01  -0.00   0.00    -0.02   0.01  -0.01    -0.00  -0.00  -0.00
     8   6     0.06  -0.02   0.03     0.12   0.01   0.04     0.07  -0.09  -0.01
     9   6    -0.07  -0.09   0.01     0.05  -0.10  -0.14    -0.05   0.03   0.07
    10   6    -0.03   0.16   0.03    -0.05  -0.05   0.15     0.04  -0.06  -0.06
    11   6    -0.00   0.02   0.02     0.01  -0.03   0.01    -0.00  -0.00  -0.00
    12   1     0.08  -0.31   0.25     0.17  -0.48  -0.20    -0.05   0.06   0.10
    13   1     0.18  -0.02  -0.18    -0.00   0.13  -0.10    -0.06   0.17   0.08
    14   1     0.29  -0.32  -0.24    -0.12   0.05  -0.01    -0.01   0.06   0.01
    15   1    -0.03   0.20   0.18    -0.16  -0.18   0.12     0.09  -0.05  -0.19
    16   1     0.12   0.06  -0.05    -0.26   0.01   0.34     0.01  -0.02  -0.05
    17   1     0.04   0.06   0.05     0.10   0.05   0.06     0.25   0.19   0.21
    18   1     0.01   0.00   0.01    -0.03  -0.22  -0.15    -0.04  -0.35  -0.19
    19   1     0.04   0.07   0.06     0.09   0.06   0.09     0.21   0.15   0.25
    20   1     0.06  -0.01   0.03     0.15  -0.10   0.11     0.32   0.06   0.21
    21   1     0.04  -0.01   0.02     0.19  -0.10   0.15    -0.33   0.16  -0.12
    22   1     0.09  -0.02   0.05    -0.09  -0.02  -0.04     0.21   0.07   0.22
    23   1     0.00  -0.11  -0.29     0.16   0.01   0.07     0.02   0.01   0.03
    24   1    -0.14   0.14   0.34     0.11  -0.03  -0.01     0.02  -0.02  -0.04
    25   1    -0.01  -0.11   0.00    -0.04  -0.05   0.02     0.01   0.02  -0.00
    26   1     0.02  -0.02  -0.06    -0.00   0.03  -0.01    -0.00  -0.01   0.01
    27   1     0.05   0.13  -0.07    -0.04  -0.07   0.01     0.00  -0.01   0.01
                     28                     29                     30
                      A                      A                      A
 Frequencies --    981.5139               989.2125              1009.5456
 Red. masses --      1.8160                 1.5828                 1.4932
 Frc consts  --      1.0307                 0.9126                 0.8966
 IR Inten    --      0.0096                 3.7364                19.0275
 RamAct Fr= 1--      6.4918                15.9560                35.3494
  Dep-P Fr= 1--      0.2016                 0.3730                 0.3634
  Dep-U Fr= 1--      0.3355                 0.5434                 0.5330
 Alpha2 Fr= 1--      0.0878                 0.1298                 0.2970
 Beta2  Fr= 1--      0.3630                 1.4450                 3.1404
 AlphaG Fr= 1--     -0.0235                -0.0381                 0.1804
 Gamma2 Fr= 1--     -1.3317                -1.4769                 2.0364
 Delta2 Fr= 1--      0.2766                 0.3485                 0.4226
 Raman1 Fr= 1--      25.967                 63.824                141.398
 ROA1   Fr= 1--    -118.991               -130.634                209.018
 CID1   Fr= 1--      -4.582                 -2.047                  1.478
 Raman2 Fr= 1--       4.356                 17.340                 37.685
 ROA2   Fr= 1--     -34.173                -38.234                 45.492
 CID2   Fr= 1--      -7.844                 -2.205                  1.207
 Raman3 Fr= 1--       8.713                 34.679                 75.370
 ROA3   Fr= 1--    -118.991               -130.634                209.018
 CID3   Fr= 1--     -13.657                 -3.767                  2.773
 RC180  Fr= 1--      -0.329                  0.087                  0.066
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.03  -0.03     0.06  -0.00   0.10     0.00   0.02  -0.06
     2   6    -0.06   0.07  -0.00     0.02  -0.09  -0.02    -0.01   0.03   0.00
     3   6    -0.03  -0.02  -0.04    -0.01   0.05  -0.05     0.02   0.02  -0.01
     4   6     0.04   0.03   0.00    -0.02  -0.00   0.01     0.01   0.02  -0.01
     5   6     0.03  -0.00  -0.00    -0.03  -0.03  -0.01    -0.07  -0.07   0.01
     6   6    -0.01  -0.01   0.00     0.02   0.03  -0.01     0.02   0.05  -0.01
     7   8    -0.00  -0.01   0.00    -0.02   0.02  -0.01    -0.03   0.04  -0.02
     8   6     0.07   0.08   0.06     0.00  -0.01  -0.06    -0.02  -0.00   0.06
     9   6    -0.10   0.00   0.11    -0.07   0.02  -0.01    -0.01  -0.01   0.02
    10   6     0.07  -0.09  -0.08     0.05  -0.03   0.02     0.02  -0.03  -0.01
    11   6    -0.03   0.01  -0.01     0.05  -0.03   0.03     0.11  -0.04   0.04
    12   1    -0.03  -0.10   0.26     0.02  -0.09   0.19    -0.04   0.11   0.07
    13   1    -0.05   0.33   0.08     0.01   0.39  -0.07     0.03  -0.14  -0.01
    14   1    -0.00  -0.06  -0.06    -0.08   0.10  -0.02     0.02  -0.13  -0.04
    15   1     0.14  -0.10  -0.37    -0.03  -0.16  -0.09    -0.08  -0.12   0.07
    16   1    -0.00  -0.02  -0.06    -0.06   0.13   0.03     0.09   0.07  -0.16
    17   1    -0.04  -0.01  -0.01    -0.17  -0.20  -0.24     0.07   0.17   0.18
    18   1    -0.02  -0.03  -0.01     0.13   0.43   0.14    -0.08  -0.15   0.02
    19   1    -0.04  -0.06  -0.04    -0.02   0.19  -0.04    -0.05  -0.19  -0.04
    20   1    -0.13  -0.16  -0.07     0.18  -0.07   0.15    -0.21   0.08  -0.18
    21   1     0.48  -0.24   0.26    -0.17   0.01   0.02     0.15  -0.00  -0.05
    22   1    -0.24  -0.08  -0.20    -0.19   0.05  -0.02     0.22  -0.07   0.02
    23   1     0.07   0.04   0.06     0.10  -0.02   0.04     0.14   0.00   0.04
    24   1     0.01   0.03   0.09     0.03  -0.01   0.08    -0.05  -0.07   0.02
    25   1     0.06   0.05  -0.02    -0.14  -0.15   0.04    -0.26  -0.24   0.08
    26   1    -0.02  -0.11   0.04     0.03   0.24  -0.09     0.06   0.47  -0.17
    27   1     0.05   0.06   0.00    -0.13  -0.15  -0.01    -0.23  -0.27  -0.02
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1025.2014              1030.8106              1051.2846
 Red. masses --      1.1338                 1.5412                 1.8556
 Frc consts  --      0.7021                 0.9649                 1.2083
 IR Inten    --     29.8890                 0.9688                 0.6103
 RamAct Fr= 1--      3.4936                 6.5513                 0.9267
  Dep-P Fr= 1--      0.3701                 0.4022                 0.5956
  Dep-U Fr= 1--      0.5402                 0.5737                 0.7465
 Alpha2 Fr= 1--      0.0287                 0.0481                 0.0027
 Beta2  Fr= 1--      0.3146                 0.6264                 0.1153
 AlphaG Fr= 1--      0.6688                 0.0365                 0.0062
 Gamma2 Fr= 1--      1.7677                 2.4535                 0.1429
 Delta2 Fr= 1--      0.1022                 2.0423                -0.0009
 Raman1 Fr= 1--      13.974                 26.205                  3.707
 ROA1   Fr= 1--     172.973                300.892                 13.686
 CID1   Fr= 1--      12.378                 11.482                  3.692
 Raman2 Fr= 1--       3.775                  7.517                  1.384
 ROA2   Fr= 1--      41.608                 42.546                  3.436
 CID2   Fr= 1--      11.023                  5.660                  2.483
 Raman3 Fr= 1--       7.550                 15.034                  2.767
 ROA3   Fr= 1--     172.973                300.892                 13.686
 CID3   Fr= 1--      22.911                 20.015                  4.946
 RC180  Fr= 1--       0.080                  0.147                  0.493
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.00  -0.00     0.10   0.04  -0.02     0.00   0.00   0.00
     2   6     0.00  -0.01  -0.00    -0.02  -0.05  -0.03    -0.00  -0.00  -0.00
     3   6    -0.01  -0.00   0.01    -0.08   0.03   0.01     0.00   0.00  -0.00
     4   6     0.03  -0.02  -0.06     0.02   0.00   0.00    -0.02   0.01   0.04
     5   6     0.02  -0.02  -0.05     0.05   0.02   0.02     0.01  -0.02  -0.06
     6   6    -0.01   0.01   0.03     0.00  -0.00  -0.00    -0.05   0.07   0.19
     7   8     0.00  -0.00  -0.01     0.01  -0.02   0.01     0.01  -0.01  -0.03
     8   6    -0.01  -0.01   0.00    -0.03  -0.06   0.07    -0.00   0.00   0.00
     9   6    -0.00   0.00  -0.02    -0.05   0.01  -0.06     0.00  -0.00   0.00
    10   6     0.00   0.02   0.01     0.04  -0.00   0.03    -0.00  -0.00   0.00
    11   6    -0.00  -0.01  -0.02    -0.05   0.00  -0.01     0.04  -0.05  -0.14
    12   1     0.01  -0.01   0.00     0.03  -0.09   0.08    -0.00   0.00  -0.00
    13   1     0.02  -0.00  -0.03     0.04   0.23  -0.12    -0.00   0.00   0.00
    14   1    -0.10  -0.07   0.02    -0.10  -0.14  -0.02     0.05   0.03  -0.01
    15   1    -0.01   0.00   0.00    -0.06  -0.13  -0.05     0.00  -0.00   0.00
    16   1     0.01   0.04  -0.01    -0.02   0.19  -0.04    -0.00  -0.01   0.01
    17   1    -0.00   0.02   0.02    -0.06   0.20   0.18    -0.00   0.00   0.00
    18   1    -0.01   0.00   0.02    -0.02   0.20   0.26     0.00   0.01   0.00
    19   1    -0.01  -0.02  -0.01    -0.18  -0.29  -0.18    -0.01  -0.01  -0.00
    20   1    -0.01   0.02  -0.01    -0.19   0.14  -0.18    -0.01  -0.00  -0.01
    21   1    -0.03   0.02  -0.03     0.01   0.08  -0.15     0.01  -0.00   0.00
    22   1     0.06  -0.00   0.03     0.40  -0.07   0.12     0.00  -0.00  -0.00
    23   1    -0.14   0.24   0.63     0.10  -0.03  -0.07     0.06  -0.11  -0.29
    24   1    -0.14   0.23   0.62     0.15  -0.04  -0.11    -0.00  -0.01  -0.02
    25   1     0.02   0.09  -0.01     0.11   0.08  -0.03     0.06   0.59  -0.05
    26   1    -0.02  -0.01   0.06    -0.03  -0.22   0.07    -0.08   0.12   0.29
    27   1    -0.01  -0.05   0.05     0.10   0.10   0.01    -0.14  -0.49   0.31
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1101.6406              1107.1323              1165.0677
 Red. masses --      1.8477                 1.3105                 1.7181
 Frc consts  --      1.3212                 0.9464                 1.3741
 IR Inten    --     20.0483                 8.8172                 3.0031
 RamAct Fr= 1--     78.6467                 7.8578                69.1291
  Dep-P Fr= 1--      0.2499                 0.5272                 0.4009
  Dep-U Fr= 1--      0.3998                 0.6905                 0.5724
 Alpha2 Fr= 1--      0.9325                 0.0340                 0.5104
 Beta2  Fr= 1--      5.2407                 0.9042                 6.5945
 AlphaG Fr= 1--      1.0230                 0.1728                 1.5809
 Gamma2 Fr= 1--      8.2757                 6.8189                11.9916
 Delta2 Fr= 1--      2.2782                -0.3858                 1.8466
 Raman1 Fr= 1--     314.587                 31.431                276.516
 ROA1   Fr= 1--     867.368                642.270               1210.283
 CID1   Fr= 1--       2.757                 20.434                  4.377
 Raman2 Fr= 1--      62.889                 10.851                 79.134
 ROA2   Fr= 1--     180.391                166.740                273.026
 CID2   Fr= 1--       2.868                 15.366                  3.450
 Raman3 Fr= 1--     125.778                 21.702                158.268
 ROA3   Fr= 1--     867.368                642.270               1210.283
 CID3   Fr= 1--       6.896                 29.595                  7.647
 RC180  Fr= 1--      -0.200                  0.381                  0.145
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.01  -0.04    -0.04  -0.01   0.02    -0.02  -0.02   0.07
     2   6     0.01   0.00   0.04     0.04   0.01  -0.00     0.03   0.02  -0.14
     3   6     0.13   0.09  -0.09    -0.08   0.06  -0.05     0.01   0.11   0.05
     4   6    -0.11  -0.10   0.00    -0.03   0.01   0.02    -0.02  -0.07  -0.05
     5   6    -0.01   0.05  -0.03     0.02   0.00  -0.00    -0.03   0.04  -0.00
     6   6     0.01  -0.01  -0.00     0.02   0.02  -0.00    -0.00  -0.00   0.01
     7   8     0.02  -0.02   0.01     0.00  -0.01   0.01     0.01  -0.00   0.00
     8   6    -0.02   0.01   0.01     0.00   0.01  -0.02    -0.02  -0.01   0.07
     9   6    -0.04  -0.02   0.03     0.01  -0.02   0.01    -0.00  -0.06   0.01
    10   6     0.06  -0.06   0.04     0.06  -0.02   0.04    -0.03  -0.03   0.03
    11   6    -0.03   0.01  -0.01    -0.04  -0.01  -0.01    -0.00   0.00  -0.00
    12   1    -0.00  -0.04   0.14    -0.11   0.40   0.10    -0.06   0.17   0.07
    13   1     0.02   0.01  -0.02     0.09  -0.34  -0.05    -0.01   0.07   0.02
    14   1     0.11   0.68   0.02    -0.19  -0.37  -0.10     0.67  -0.16  -0.19
    15   1    -0.25  -0.32   0.29    -0.15  -0.24   0.09     0.13   0.09  -0.15
    16   1     0.03   0.13  -0.06     0.15   0.30  -0.29     0.00  -0.06   0.02
    17   1     0.05   0.11   0.11     0.04  -0.10  -0.09    -0.01  -0.16  -0.16
    18   1    -0.05  -0.12  -0.00     0.02  -0.07  -0.12     0.09   0.10  -0.08
    19   1    -0.02  -0.12  -0.01     0.08   0.14   0.09     0.06   0.24   0.05
    20   1    -0.07   0.01  -0.04     0.04  -0.03   0.03    -0.16   0.09  -0.13
    21   1     0.03  -0.01   0.01    -0.01  -0.01   0.02     0.15   0.02  -0.08
    22   1    -0.01  -0.01  -0.02    -0.09   0.02  -0.03     0.22  -0.09   0.00
    23   1    -0.22  -0.06   0.04     0.18  -0.04   0.00    -0.15   0.00   0.08
    24   1     0.02   0.08   0.08     0.18  -0.01   0.06    -0.06   0.02  -0.07
    25   1     0.06   0.04  -0.02     0.06   0.03  -0.02     0.01   0.02  -0.00
    26   1    -0.01  -0.12   0.03    -0.02  -0.14   0.05    -0.00  -0.02   0.01
    27   1     0.05   0.07  -0.00     0.05   0.04   0.02     0.01   0.01   0.00
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1200.9199              1226.9958              1244.1068
 Red. masses --      1.6998                 1.4768                 1.9045
 Frc consts  --      1.4443                 1.3099                 1.7367
 IR Inten    --      3.1661                 8.7545                 2.7028
 RamAct Fr= 1--      4.3305                15.2784                12.2563
  Dep-P Fr= 1--      0.7365                 0.5473                 0.2685
  Dep-U Fr= 1--      0.8483                 0.7074                 0.4234
 Alpha2 Fr= 1--      0.0010                 0.0593                 0.1378
 Beta2  Fr= 1--      0.6123                 1.8013                 0.8648
 AlphaG Fr= 1--     -0.0018                 0.1230                 0.1095
 Gamma2 Fr= 1--      0.8294                 3.6155                 0.3940
 Delta2 Fr= 1--      0.6788                 0.2899                 0.2281
 Raman1 Fr= 1--      17.322                 61.114                 49.025
 ROA1   Fr= 1--     101.345                356.366                 45.126
 CID1   Fr= 1--       5.851                  5.831                  0.920
 Raman2 Fr= 1--       7.347                 21.616                 10.378
 ROA2   Fr= 1--      14.475                 84.453                  7.632
 CID2   Fr= 1--       1.970                  3.907                  0.735
 Raman3 Fr= 1--      14.694                 43.231                 20.755
 ROA3   Fr= 1--     101.345                356.366                 45.126
 CID3   Fr= 1--       6.897                  8.243                  2.174
 RC180  Fr= 1--       0.697                  0.415                 -0.153
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.07   0.02   0.01     0.03   0.02  -0.05     0.01  -0.07  -0.00
     2   6     0.15  -0.02  -0.05    -0.07  -0.03   0.11     0.03   0.21   0.04
     3   6     0.02  -0.08  -0.01     0.02   0.03  -0.01     0.01  -0.01  -0.03
     4   6     0.01   0.03   0.03     0.00  -0.01  -0.01    -0.01   0.00   0.00
     5   6     0.01  -0.01   0.00     0.00   0.01  -0.00     0.00   0.01  -0.00
     6   6    -0.01  -0.01  -0.00    -0.03  -0.03   0.00    -0.02  -0.02   0.00
     7   8    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
     8   6    -0.06   0.02   0.05     0.03   0.01  -0.04    -0.01  -0.09  -0.02
     9   6    -0.06  -0.05  -0.06    -0.02  -0.05  -0.09    -0.08   0.07   0.01
    10   6     0.01   0.04   0.08     0.02   0.01   0.07     0.03  -0.06   0.05
    11   6     0.01   0.00   0.00     0.01   0.01   0.00     0.01   0.00   0.00
    12   1    -0.05   0.14   0.18    -0.14   0.55   0.19     0.09  -0.37   0.10
    13   1     0.09   0.10  -0.16     0.08  -0.08  -0.16     0.16  -0.48  -0.18
    14   1    -0.42   0.35   0.19     0.25  -0.08  -0.09     0.04   0.02  -0.03
    15   1     0.19   0.12  -0.37     0.21   0.08  -0.38     0.16  -0.04  -0.36
    16   1    -0.07   0.09   0.14    -0.19  -0.00   0.31    -0.06   0.01   0.09
    17   1     0.15  -0.03  -0.01    -0.02   0.14   0.12    -0.13  -0.16  -0.16
    18   1     0.00  -0.15  -0.18    -0.07  -0.05   0.11     0.03   0.03  -0.02
    19   1     0.13   0.14   0.15    -0.04  -0.17  -0.05    -0.10  -0.05  -0.12
    20   1    -0.25   0.07  -0.18     0.10  -0.07   0.09     0.13   0.17   0.05
    21   1     0.11   0.02  -0.07    -0.07  -0.03   0.09    -0.22   0.11  -0.15
    22   1     0.08  -0.08  -0.06    -0.15   0.06  -0.01     0.17   0.07   0.19
    23   1    -0.02   0.00  -0.07    -0.05   0.01   0.01     0.04  -0.01   0.00
    24   1     0.00  -0.01   0.01     0.01   0.01  -0.01     0.06   0.01   0.02
    25   1    -0.01  -0.01   0.00    -0.02   0.01   0.01    -0.01   0.01   0.00
    26   1     0.00   0.02  -0.01     0.01   0.06  -0.02     0.00   0.04  -0.01
    27   1    -0.01  -0.00  -0.01    -0.01   0.00  -0.02    -0.00   0.01  -0.01
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1269.7344              1277.9738              1286.1527
 Red. masses --      1.6016                 2.9338                 1.6943
 Frc consts  --      1.5214                 2.8231                 1.6513
 IR Inten    --     40.6148               112.5049                11.6195
 RamAct Fr= 1--     70.1787                 5.6134                 3.3056
  Dep-P Fr= 1--      0.2393                 0.3217                 0.7478
  Dep-U Fr= 1--      0.3862                 0.4867                 0.8557
 Alpha2 Fr= 1--      0.8568                 0.0539                 0.0001
 Beta2  Fr= 1--      4.5172                 0.4554                 0.4715
 AlphaG Fr= 1--      0.2818                -0.0506                 0.0021
 Gamma2 Fr= 1--     12.4928                -1.4530                 0.9012
 Delta2 Fr= 1--      6.4128                -0.5382                -0.9439
 Raman1 Fr= 1--     280.715                 22.454                 13.223
 ROA1   Fr= 1--    1404.518               -156.706                 56.312
 CID1   Fr= 1--       5.003                 -6.979                  4.259
 Raman2 Fr= 1--      54.207                  5.465                  5.657
 ROA2   Fr= 1--     248.525                -30.566                 29.180
 CID2   Fr= 1--       4.585                 -5.593                  5.158
 Raman3 Fr= 1--     108.414                 10.929                 11.315
 ROA3   Fr= 1--    1404.518               -156.706                 56.312
 CID3   Fr= 1--      12.955                -14.338                  4.977
 RC180  Fr= 1--      -0.228                 -0.027                  0.711
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.01  -0.00    -0.00   0.01  -0.03    -0.04   0.04  -0.02
     2   6     0.08  -0.04   0.02     0.03  -0.01   0.08     0.10  -0.11   0.06
     3   6    -0.05   0.02   0.03     0.11   0.02   0.00     0.02   0.05   0.02
     4   6     0.03  -0.02   0.00    -0.07   0.03  -0.02    -0.05   0.02  -0.03
     5   6    -0.01  -0.02   0.01    -0.16  -0.08  -0.02    -0.03   0.04  -0.02
     6   6     0.08   0.07  -0.01     0.22   0.21  -0.02    -0.07  -0.07   0.01
     7   8    -0.02  -0.01  -0.00    -0.00  -0.05   0.02     0.03  -0.00   0.01
     8   6    -0.02   0.01  -0.00    -0.01  -0.00  -0.02    -0.03   0.04  -0.01
     9   6    -0.07   0.04   0.00     0.01   0.01  -0.02    -0.04   0.08  -0.00
    10   6     0.10   0.04  -0.09    -0.09  -0.04   0.05    -0.02  -0.03  -0.02
    11   6    -0.02  -0.01  -0.00    -0.09  -0.02  -0.01     0.01   0.00   0.00
    12   1     0.01  -0.11   0.11     0.06  -0.14  -0.05     0.11  -0.38  -0.07
    13   1     0.13  -0.21  -0.15    -0.08   0.23   0.05     0.04  -0.04  -0.06
    14   1     0.15  -0.17  -0.06     0.01  -0.19  -0.01     0.19  -0.29  -0.09
    15   1    -0.17  -0.17   0.23     0.26   0.24  -0.32     0.08   0.08  -0.02
    16   1    -0.36  -0.17   0.55     0.13  -0.05  -0.19    -0.08  -0.02   0.05
    17   1     0.08  -0.01  -0.01     0.02   0.04   0.04     0.14   0.04   0.04
    18   1    -0.02  -0.09  -0.07    -0.04  -0.08   0.01    -0.05  -0.15  -0.06
    19   1     0.05  -0.00   0.07    -0.01  -0.10   0.00     0.08  -0.06   0.11
    20   1    -0.05  -0.01  -0.03    -0.00   0.00  -0.00    -0.08  -0.06  -0.03
    21   1     0.01   0.00  -0.01    -0.07   0.01   0.00     0.02  -0.02   0.03
    22   1    -0.03  -0.02  -0.04    -0.05   0.02   0.01    -0.08  -0.02  -0.09
    23   1    -0.07  -0.00  -0.02     0.28  -0.02   0.07     0.20  -0.01   0.06
    24   1    -0.36  -0.01  -0.11     0.03  -0.09   0.04     0.64  -0.01   0.16
    25   1     0.03  -0.06  -0.02     0.13  -0.15  -0.05    -0.00   0.09   0.01
    26   1    -0.01  -0.16   0.06    -0.05  -0.44   0.16     0.00   0.16  -0.06
    27   1     0.01  -0.04   0.06     0.06  -0.06   0.18     0.02   0.06  -0.06
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1295.6756              1298.8084              1348.3133
 Red. masses --      1.6230                 1.7456                 1.3538
 Frc consts  --      1.6053                 1.7349                 1.4501
 IR Inten    --      1.9368                 0.8701                 0.1408
 RamAct Fr= 1--     34.4596                12.8637                13.2394
  Dep-P Fr= 1--      0.2068                 0.2419                 0.3034
  Dep-U Fr= 1--      0.3427                 0.3896                 0.4655
 Alpha2 Fr= 1--      0.4596                 0.1559                 0.1344
 Beta2  Fr= 1--      1.9683                 0.8353                 1.0272
 AlphaG Fr= 1--     -0.3681                 0.1594                -0.1056
 Gamma2 Fr= 1--     -4.5517                -4.0872                 2.2589
 Delta2 Fr= 1--      0.2858                -1.3445                 0.3868
 Raman1 Fr= 1--     137.838                 51.455                 52.958
 ROA1   Fr= 1--    -427.817               -435.390                229.234
 CID1   Fr= 1--      -3.104                 -8.462                  4.329
 Raman2 Fr= 1--      23.620                 10.024                 12.326
 ROA2   Fr= 1--    -111.528                -87.336                 51.119
 CID2   Fr= 1--      -4.722                 -8.713                  4.147
 Raman3 Fr= 1--      47.240                 20.047                 24.653
 ROA3   Fr= 1--    -427.817               -435.390                229.234
 CID3   Fr= 1--      -9.056                -21.718                  9.298
 RC180  Fr= 1--      -0.315                 -0.221                 -0.069
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.04  -0.01     0.03   0.00   0.04     0.01   0.00   0.01
     2   6     0.03   0.13   0.03    -0.13  -0.04  -0.13    -0.03  -0.00  -0.03
     3   6     0.05  -0.00   0.02     0.04  -0.05   0.04     0.04  -0.03   0.02
     4   6    -0.04   0.04  -0.01    -0.03   0.06  -0.04    -0.03  -0.08   0.03
     5   6    -0.03  -0.01  -0.01    -0.07  -0.04   0.00    -0.03   0.12  -0.05
     6   6    -0.01  -0.01  -0.00     0.03   0.03  -0.00    -0.01  -0.02   0.00
     7   8     0.02  -0.01   0.01     0.01  -0.02   0.01     0.01   0.00   0.00
     8   6    -0.01  -0.05   0.00     0.03   0.02   0.03     0.00   0.00   0.01
     9   6     0.00  -0.12  -0.00     0.00   0.03   0.03     0.00  -0.00   0.00
    10   6     0.02   0.03  -0.09     0.03   0.02  -0.02     0.00   0.01  -0.02
    11   6    -0.00  -0.00   0.00    -0.02  -0.01  -0.00    -0.01  -0.02   0.01
    12   1    -0.09   0.25   0.14    -0.05   0.14  -0.02    -0.02   0.05  -0.00
    13   1    -0.13   0.46   0.11     0.14  -0.51  -0.09     0.02  -0.05  -0.01
    14   1    -0.16  -0.18   0.04    -0.04   0.29   0.12    -0.14  -0.01   0.08
    15   1    -0.15  -0.05   0.27     0.00   0.00   0.03     0.01   0.03  -0.01
    16   1    -0.19  -0.17   0.29    -0.17  -0.02   0.24    -0.05  -0.06   0.10
    17   1    -0.04  -0.06  -0.06    -0.08   0.02   0.02    -0.01  -0.00  -0.00
    18   1     0.02   0.00  -0.03     0.05   0.17   0.08     0.01   0.03   0.02
    19   1    -0.04  -0.01  -0.05    -0.01   0.12  -0.04    -0.01   0.01  -0.01
    20   1     0.02   0.13  -0.03     0.01  -0.06   0.03    -0.00  -0.01   0.00
    21   1    -0.11   0.07  -0.10     0.16  -0.06   0.06     0.03  -0.01   0.01
    22   1     0.05   0.03   0.10     0.07  -0.05  -0.04     0.03  -0.01  -0.00
    23   1     0.08   0.01  -0.01     0.07   0.06   0.01     0.81  -0.19   0.28
    24   1     0.45  -0.04   0.14     0.52  -0.09   0.17    -0.27   0.14  -0.13
    25   1     0.02   0.03  -0.00     0.04  -0.01  -0.01     0.04   0.08   0.01
    26   1    -0.01   0.03  -0.01    -0.01  -0.06   0.02    -0.02   0.11  -0.05
    27   1     0.02   0.03  -0.01     0.03   0.00   0.03     0.05   0.06  -0.04
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1371.8225              1389.3007              1405.2518
 Red. masses --      1.5938                 1.3595                 1.2870
 Frc consts  --      1.7671                 1.5460                 1.4974
 IR Inten    --      1.3943                44.5455                 9.7517
 RamAct Fr= 1--     31.4748                 0.7470                 2.9204
  Dep-P Fr= 1--      0.2967                 0.7495                 0.4765
  Dep-U Fr= 1--      0.4576                 0.8568                 0.6455
 Alpha2 Fr= 1--      0.3260                 0.0000                 0.0160
 Beta2  Fr= 1--      2.4004                 0.1067                 0.3142
 AlphaG Fr= 1--      0.1170                 0.0000                 0.0222
 Gamma2 Fr= 1--      0.3650                 0.2997                -0.1624
 Delta2 Fr= 1--      0.4255                -0.0620                -0.0645
 Raman1 Fr= 1--     125.899                  2.988                 11.682
 ROA1   Fr= 1--      48.652                 26.788                -17.652
 CID1   Fr= 1--       0.386                  8.966                 -1.511
 Raman2 Fr= 1--      28.805                  1.280                  3.770
 ROA2   Fr= 1--       5.355                  7.689                 -3.380
 CID2   Fr= 1--       0.186                  6.007                 -0.897
 Raman3 Fr= 1--      57.610                  2.560                  7.540
 ROA3   Fr= 1--      48.652                 26.788                -17.652
 CID3   Fr= 1--       0.845                 10.464                 -2.341
 RC180  Fr= 1--      -0.085                  0.714                  0.291
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.01   0.00     0.00   0.00   0.00    -0.04  -0.08  -0.06
     2   6     0.04   0.03   0.04     0.00  -0.00   0.00     0.03   0.02   0.03
     3   6    -0.15  -0.13   0.01    -0.00   0.00  -0.00    -0.02  -0.02  -0.00
     4   6     0.03   0.04  -0.04     0.01   0.01  -0.00     0.00   0.01  -0.00
     5   6    -0.04  -0.00  -0.01    -0.01  -0.03   0.01    -0.01  -0.00  -0.00
     6   6     0.02   0.02   0.00     0.05   0.05  -0.01     0.00   0.00  -0.00
     7   8     0.00  -0.00   0.00    -0.01  -0.00  -0.00     0.00  -0.00   0.00
     8   6     0.01  -0.01  -0.01     0.00  -0.00  -0.00    -0.09   0.02  -0.05
     9   6     0.00  -0.02  -0.01     0.00   0.00  -0.00    -0.00  -0.01  -0.01
    10   6     0.03   0.03   0.02    -0.00   0.00   0.00     0.00   0.01   0.00
    11   6    -0.01  -0.00  -0.00    -0.04  -0.15   0.04    -0.00  -0.00   0.00
    12   1    -0.01   0.05  -0.01     0.00  -0.00   0.00     0.01  -0.02   0.02
    13   1    -0.00   0.13  -0.01    -0.00   0.00  -0.00    -0.01   0.06  -0.00
    14   1     0.64   0.48  -0.09     0.02   0.01  -0.01     0.09   0.04  -0.02
    15   1    -0.07  -0.04   0.13    -0.00  -0.01  -0.01    -0.02  -0.03  -0.00
    16   1     0.06   0.18  -0.13     0.02  -0.00  -0.01     0.02   0.00  -0.01
    17   1     0.01  -0.05  -0.07    -0.00   0.00  -0.00     0.10   0.19   0.34
    18   1    -0.00  -0.10  -0.06     0.00  -0.01  -0.01    -0.04   0.36   0.16
    19   1    -0.04  -0.07  -0.01    -0.01  -0.00  -0.01     0.27   0.30   0.13
    20   1    -0.01   0.04  -0.04    -0.00   0.00  -0.00     0.25  -0.04   0.31
    21   1    -0.08   0.05  -0.03    -0.01   0.00  -0.00     0.30  -0.22   0.09
    22   1    -0.10   0.02   0.00    -0.01   0.00  -0.00     0.38   0.05   0.10
    23   1     0.34   0.03   0.11    -0.13   0.03  -0.04     0.04   0.00   0.01
    24   1     0.13  -0.02   0.03    -0.06  -0.03  -0.00     0.02  -0.00   0.00
    25   1     0.03  -0.02  -0.01     0.15   0.57   0.09     0.01   0.00  -0.00
    26   1    -0.01   0.00   0.00    -0.08   0.44  -0.19    -0.00   0.01  -0.00
    27   1     0.02  -0.01   0.04     0.27   0.40  -0.34     0.01   0.00   0.00
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1421.7852              1471.4746              1480.2533
 Red. masses --      1.2293                 1.0565                 1.0472
 Frc consts  --      1.4641                 1.3478                 1.3519
 IR Inten    --      3.1354                 9.9414                 9.7098
 RamAct Fr= 1--      0.9460                 3.8170                 4.5402
  Dep-P Fr= 1--      0.7280                 0.7437                 0.7498
  Dep-U Fr= 1--      0.8426                 0.8530                 0.8570
 Alpha2 Fr= 1--      0.0004                 0.0004                 0.0000
 Beta2  Fr= 1--      0.1329                 0.5427                 0.6485
 AlphaG Fr= 1--      0.0045                 0.0048                -0.0019
 Gamma2 Fr= 1--      0.2491                 0.6896                 1.1171
 Delta2 Fr= 1--     -0.1011                 0.4675                 0.9583
 Raman1 Fr= 1--       3.784                 15.268                 18.161
 ROA1   Fr= 1--      20.675                 81.162                137.906
 CID1   Fr= 1--       5.463                  5.316                  7.594
 Raman2 Fr= 1--       1.594                  6.512                  7.782
 ROA2   Fr= 1--       6.786                 12.811                 19.144
 CID2   Fr= 1--       4.257                  1.967                  2.460
 Raman3 Fr= 1--       3.189                 13.024                 15.564
 ROA3   Fr= 1--      20.675                 81.162                137.906
 CID3   Fr= 1--       6.484                  6.232                  8.861
 RC180  Fr= 1--       0.685                  0.706                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.08   0.05    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     2   6     0.00  -0.01  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
     3   6     0.00  -0.00   0.00     0.00   0.01  -0.00     0.00  -0.00  -0.00
     4   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     5   6     0.00  -0.00   0.00     0.01  -0.00   0.00    -0.00   0.00   0.00
     6   6     0.00   0.00  -0.00    -0.00  -0.02   0.01     0.00  -0.01  -0.02
     7   8    -0.00   0.00  -0.00    -0.02   0.02  -0.01     0.00  -0.00   0.00
     8   6    -0.09   0.03  -0.04     0.00  -0.00  -0.00     0.00   0.00  -0.00
     9   6     0.01  -0.01  -0.01     0.00   0.00   0.00    -0.00   0.00   0.00
    10   6    -0.00   0.01   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    11   6    -0.00  -0.00  -0.00    -0.05  -0.00  -0.01     0.02  -0.02  -0.05
    12   1     0.01   0.03   0.06     0.00  -0.00   0.00    -0.00   0.00  -0.00
    13   1    -0.05   0.02   0.04    -0.00  -0.00   0.00     0.00   0.00  -0.00
    14   1    -0.02   0.01   0.01    -0.01  -0.01  -0.00    -0.00  -0.00   0.00
    15   1    -0.02  -0.01  -0.01    -0.00  -0.01  -0.01    -0.00  -0.00  -0.00
    16   1     0.02  -0.02   0.00     0.00  -0.01  -0.00     0.00  -0.00   0.00
    17   1    -0.05  -0.19  -0.34     0.02  -0.00   0.00     0.04   0.00   0.02
    18   1     0.03  -0.34  -0.16     0.01   0.02  -0.01     0.03   0.03  -0.04
    19   1    -0.24  -0.32  -0.09    -0.00  -0.01  -0.00    -0.03  -0.01  -0.02
    20   1     0.24  -0.11   0.33    -0.01  -0.00  -0.01    -0.02  -0.01  -0.02
    21   1     0.31  -0.23   0.10    -0.01  -0.00   0.01    -0.02  -0.02   0.03
    22   1     0.42   0.01   0.05    -0.00   0.00   0.01     0.01   0.02   0.02
    23   1    -0.01   0.01  -0.00    -0.05   0.00  -0.01     0.00  -0.00  -0.01
    24   1     0.01  -0.00   0.01    -0.00  -0.00   0.00    -0.00   0.00   0.00
    25   1     0.00  -0.00  -0.00     0.51  -0.33  -0.14    -0.46  -0.18   0.02
    26   1    -0.00   0.00  -0.00    -0.07   0.40  -0.15    -0.17   0.24   0.66
    27   1     0.00  -0.00   0.00     0.36  -0.06   0.53     0.40   0.23   0.07
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1484.0101              1487.3344              1493.6611
 Red. masses --      1.0685                 1.0465                 1.0646
 Frc consts  --      1.3865                 1.3640                 1.3994
 IR Inten    --      0.5633                 0.8839                 8.2058
 RamAct Fr= 1--      4.3727                 9.1631                 4.5632
  Dep-P Fr= 1--      0.6347                 0.7291                 0.6004
  Dep-U Fr= 1--      0.7765                 0.8433                 0.7503
 Alpha2 Fr= 1--      0.0091                 0.0033                 0.0126
 Beta2  Fr= 1--      0.5659                 1.2879                 0.5706
 AlphaG Fr= 1--      0.0090                 0.0035                 0.0109
 Gamma2 Fr= 1--     -1.4436                -1.1546                 1.0129
 Delta2 Fr= 1--     -1.3805                -0.0709                 0.3396
 Raman1 Fr= 1--      17.491                 36.652                 18.253
 ROA1   Fr= 1--    -182.760               -113.112                108.109
 CID1   Fr= 1--     -10.449                 -3.086                  5.923
 Raman2 Fr= 1--       6.791                 15.454                  6.848
 ROA2   Fr= 1--     -23.601                -27.144                 21.594
 CID2   Fr= 1--      -3.475                 -1.756                  3.153
 Raman3 Fr= 1--      13.582                 30.909                 13.696
 ROA3   Fr= 1--    -182.760               -113.112                108.109
 CID3   Fr= 1--     -13.456                 -3.660                  7.894
 RC180  Fr= 1--       0.553                  0.687                  0.501
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.02   0.01    -0.02  -0.01   0.03    -0.02   0.02  -0.01
     2   6     0.01   0.01   0.00    -0.00  -0.00  -0.00    -0.02  -0.00  -0.02
     3   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     4   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     5   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
     6   6     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     7   8    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     8   6     0.01   0.03  -0.00     0.02   0.00  -0.04     0.01  -0.03  -0.01
     9   6     0.01   0.01  -0.05    -0.00  -0.00   0.01     0.02   0.01  -0.04
    10   6     0.00  -0.03  -0.01    -0.00   0.01   0.00     0.00  -0.02  -0.01
    11   6    -0.00   0.00   0.00     0.00   0.00   0.01     0.00  -0.00   0.00
    12   1     0.15  -0.06   0.41    -0.03   0.01  -0.08     0.12  -0.02   0.33
    13   1    -0.35  -0.14   0.23     0.07   0.03  -0.05    -0.29  -0.15   0.20
    14   1     0.01   0.00  -0.00     0.01   0.00   0.00    -0.02   0.01   0.01
    15   1     0.13   0.18   0.16    -0.04  -0.06  -0.06     0.11   0.15   0.13
    16   1    -0.16   0.23  -0.01     0.05  -0.08   0.01    -0.13   0.19  -0.01
    17   1    -0.18   0.12   0.16     0.33   0.01   0.12     0.27  -0.15  -0.18
    18   1     0.06  -0.11  -0.14     0.22   0.21  -0.34    -0.06   0.20   0.17
    19   1    -0.11   0.25  -0.19    -0.21  -0.06  -0.16     0.15  -0.30   0.25
    20   1    -0.11  -0.33   0.00    -0.20  -0.10  -0.21     0.01   0.29  -0.11
    21   1    -0.22   0.04   0.10    -0.20  -0.22   0.43     0.13  -0.12   0.08
    22   1     0.19  -0.09  -0.10     0.11   0.26   0.32    -0.15   0.19   0.22
    23   1     0.00  -0.00   0.00     0.00   0.00   0.01    -0.01   0.00   0.00
    24   1    -0.02   0.00  -0.01     0.01  -0.00   0.00    -0.02   0.00  -0.01
    25   1     0.01   0.00  -0.00     0.03   0.03   0.00    -0.00   0.01   0.00
    26   1     0.00  -0.00  -0.01     0.02  -0.04  -0.06     0.00  -0.00   0.00
    27   1    -0.00  -0.00   0.00    -0.05  -0.02  -0.02    -0.00   0.00  -0.01
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1503.3571              1506.6202              1510.6513
 Red. masses --      1.0809                 1.0728                 1.0683
 Frc consts  --      1.4394                 1.4347                 1.4364
 IR Inten    --      1.0366                12.3763                 6.4405
 RamAct Fr= 1--     13.6166                 6.7396                 0.6493
  Dep-P Fr= 1--      0.6867                 0.6828                 0.3374
  Dep-U Fr= 1--      0.8142                 0.8115                 0.5046
 Alpha2 Fr= 1--      0.0152                 0.0080                 0.0059
 Beta2  Fr= 1--      1.8478                 0.9115                 0.0546
 AlphaG Fr= 1--      0.0042                -0.0126                 0.0060
 Gamma2 Fr= 1--      3.1316                 0.1323                -0.1659
 Delta2 Fr= 1--     -0.7453                 1.3123                 0.2939
 Raman1 Fr= 1--      54.467                 26.959                  2.597
 ROA1   Fr= 1--     276.780                 54.693                 -6.525
 CID1   Fr= 1--       5.082                  2.029                 -2.513
 Raman2 Fr= 1--      22.174                 10.938                  0.655
 ROA2   Fr= 1--      81.120                 -7.323                 -6.334
 CID2   Fr= 1--       3.658                 -0.669                 -9.666
 Raman3 Fr= 1--      44.348                 21.877                  1.311
 ROA3   Fr= 1--     276.780                 54.693                 -6.525
 CID3   Fr= 1--       6.241                  2.500                 -4.979
 RC180  Fr= 1--       0.628                  0.623                  0.009
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.00  -0.01     0.01  -0.01   0.02    -0.02  -0.01   0.02
     2   6    -0.02   0.04   0.01    -0.00  -0.02   0.02    -0.02  -0.01   0.02
     3   6     0.01  -0.00  -0.01     0.01   0.01  -0.01    -0.00  -0.00   0.00
     4   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     5   6     0.00  -0.00   0.00     0.01  -0.00   0.00    -0.00   0.00  -0.00
     6   6     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     7   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     8   6     0.00   0.02   0.01    -0.02  -0.02  -0.00    -0.01  -0.00   0.03
     9   6    -0.01  -0.02   0.03    -0.01  -0.01   0.02     0.01   0.02  -0.03
    10   6     0.01  -0.04  -0.01     0.00  -0.05  -0.01    -0.00   0.03   0.01
    11   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    12   1    -0.09   0.04  -0.19    -0.07   0.02  -0.18     0.09  -0.02   0.22
    13   1     0.17   0.08  -0.11     0.15   0.06  -0.11    -0.19  -0.09   0.12
    14   1    -0.02   0.00  -0.00    -0.03  -0.02  -0.01     0.02  -0.00  -0.00
    15   1     0.16   0.20   0.17     0.22   0.28   0.23    -0.12  -0.16  -0.15
    16   1    -0.18   0.26  -0.01    -0.24   0.35  -0.01     0.15  -0.21   0.01
    17   1     0.36  -0.13  -0.10    -0.01   0.10   0.16     0.36   0.02   0.13
    18   1     0.04   0.27   0.01     0.15  -0.04  -0.28     0.22   0.25  -0.32
    19   1     0.03  -0.29   0.13    -0.21   0.14  -0.24    -0.20  -0.09  -0.14
    20   1    -0.01  -0.36   0.13     0.15   0.35   0.04     0.15   0.10   0.14
    21   1    -0.19   0.16  -0.09     0.29  -0.05  -0.14     0.15   0.17  -0.33
    22   1     0.20  -0.23  -0.26    -0.20   0.07   0.07    -0.14  -0.19  -0.24
    23   1    -0.02   0.00  -0.00    -0.01  -0.00  -0.00     0.01   0.00   0.01
    24   1    -0.04   0.00  -0.00    -0.05   0.00  -0.01     0.03  -0.00   0.01
    25   1     0.00   0.01   0.00     0.01   0.00  -0.00     0.00   0.01   0.00
    26   1     0.00  -0.00  -0.01     0.00   0.00  -0.01     0.00  -0.01  -0.01
    27   1    -0.01  -0.00  -0.01    -0.00  -0.00   0.00    -0.02  -0.01  -0.01
                     58                     59                     60
                      A                      A                      A
 Frequencies --   1695.6931              1736.4569              3019.2955
 Red. masses --      5.8040                 9.8639                 1.0356
 Frc consts  --      9.8327                17.5237                 5.5625
 IR Inten    --     71.1314               276.3027                21.2172
 RamAct Fr= 1--    423.6713               279.1807                 9.0402
  Dep-P Fr= 1--      0.2923                 0.3188                 0.3720
  Dep-U Fr= 1--      0.4523                 0.4834                 0.5423
 Alpha2 Fr= 1--      4.4463                 2.7048                 0.0738
 Beta2  Fr= 1--     31.9410                22.4950                 0.8171
 AlphaG Fr= 1--      2.0848                 0.3161                 0.1197
 Gamma2 Fr= 1--     15.1265                -1.2155                -0.9216
 Delta2 Fr= 1--      0.0744                 1.4775                -0.8563
 Raman1 Fr= 1--    1694.685               1116.723                 36.161
 ROA1   Fr= 1--    1454.524                -69.407               -115.873
 CID1   Fr= 1--       0.858                 -0.062                 -3.204
 Raman2 Fr= 1--     383.292                269.940                  9.805
 ROA2   Fr= 1--     362.440                -40.992                -15.267
 CID2   Fr= 1--       0.946                 -0.152                 -1.557
 Raman3 Fr= 1--     766.583                539.879                 19.610
 ROA3   Fr= 1--    1454.524                -69.407               -115.873
 CID3   Fr= 1--       1.897                 -0.129                 -5.909
 RC180  Fr= 1--      -0.095                 -0.033                  0.085
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.03   0.01
     2   6    -0.02   0.01   0.01    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     3   6    -0.06   0.01  -0.03     0.01   0.00  -0.00    -0.00   0.00  -0.01
     4   6     0.40  -0.17   0.18    -0.01  -0.01   0.00    -0.00  -0.00   0.00
     5   6    -0.38   0.17  -0.17    -0.06   0.04  -0.03     0.00  -0.00  -0.00
     6   6    -0.00   0.02  -0.01     0.48  -0.43   0.30    -0.00   0.00  -0.00
     7   8     0.05  -0.02   0.02    -0.31   0.28  -0.19     0.00  -0.00   0.00
     8   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.03  -0.01   0.02
     9   6     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    10   6     0.01  -0.00   0.01     0.00   0.00   0.00    -0.00  -0.00  -0.00
    11   6    -0.01   0.00  -0.00    -0.02   0.03  -0.02    -0.00   0.00  -0.00
    12   1    -0.01   0.01  -0.03    -0.00   0.00  -0.00     0.01   0.00  -0.00
    13   1     0.02   0.00  -0.01     0.00   0.00   0.00     0.00  -0.00   0.00
    14   1    -0.19  -0.03   0.01     0.00   0.01   0.00     0.03  -0.02   0.11
    15   1    -0.01  -0.03   0.02    -0.02  -0.02  -0.01    -0.00   0.00  -0.00
    16   1     0.01   0.06  -0.04     0.01  -0.02  -0.00     0.00   0.00   0.00
    17   1     0.01  -0.00  -0.01    -0.00   0.00  -0.00    -0.05  -0.33   0.24
    18   1     0.01   0.00  -0.01    -0.00   0.00   0.01    -0.23   0.06  -0.12
    19   1    -0.02  -0.02  -0.01     0.00  -0.00   0.00     0.25  -0.07  -0.26
    20   1     0.02  -0.00   0.01     0.00  -0.00   0.00    -0.32   0.11   0.32
    21   1     0.00   0.00  -0.01    -0.00   0.00  -0.00    -0.12  -0.31  -0.21
    22   1    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.07   0.38  -0.30
    23   1    -0.52  -0.12  -0.10    -0.01  -0.01  -0.00     0.00   0.01  -0.00
    24   1     0.43   0.16   0.05     0.29  -0.01   0.08     0.00  -0.00   0.00
    25   1     0.04  -0.01  -0.01    -0.08   0.19   0.02     0.00  -0.00   0.00
    26   1    -0.01  -0.01   0.00     0.02  -0.28   0.11    -0.00  -0.00  -0.00
    27   1     0.03   0.01   0.03    -0.03   0.12  -0.17     0.00  -0.00  -0.00
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3023.1097              3027.0216              3040.6336
 Red. masses --      1.0489                 1.0694                 1.0372
 Frc consts  --      5.6477                 5.7734                 5.6499
 IR Inten    --     22.2480                38.9926                 3.3599
 RamAct Fr= 1--    144.9649               314.4667               147.7937
  Dep-P Fr= 1--      0.1396                 0.0546                 0.0106
  Dep-U Fr= 1--      0.2449                 0.1035                 0.0209
 Alpha2 Fr= 1--      2.3009                 6.1444                 3.2043
 Beta2  Fr= 1--      5.9179                 5.4244                 0.5144
 AlphaG Fr= 1--      1.0241                -4.7168                 1.1566
 Gamma2 Fr= 1--      9.5867               -12.5245                 0.8825
 Delta2 Fr= 1--      7.4262               -20.9436                -2.1928
 Raman1 Fr= 1--     579.860               1257.867                591.175
 ROA1   Fr= 1--    1157.959              -1872.548                 14.548
 CID1   Fr= 1--       1.997                 -1.489                  0.025
 Raman2 Fr= 1--      71.015                 65.092                  6.173
 ROA2   Fr= 1--     170.671               -133.040                 38.722
 CID2   Fr= 1--       2.403                 -2.044                  6.273
 Raman3 Fr= 1--     142.030                130.185                 12.345
 ROA3   Fr= 1--    1157.959              -1872.548                 14.548
 CID3   Fr= 1--       8.153                -14.384                  1.178
 RC180  Fr= 1--      -0.510                 -0.793                 -0.958
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.03  -0.01     0.00   0.02   0.01     0.00  -0.00   0.00
     2   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     3   6    -0.01   0.01  -0.04    -0.02   0.01  -0.07     0.00  -0.00   0.00
     4   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     5   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     6   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     7   8     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
     8   6     0.02  -0.01   0.01    -0.02   0.01  -0.01     0.00  -0.00   0.00
     9   6    -0.00  -0.00   0.00     0.00   0.00  -0.01    -0.00  -0.00   0.00
    10   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    11   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.01   0.05  -0.02
    12   1     0.04   0.01  -0.01    -0.06  -0.02   0.01     0.00   0.00  -0.00
    13   1    -0.02  -0.00  -0.02     0.04   0.00   0.05    -0.00   0.00  -0.00
    14   1     0.14  -0.09   0.49     0.22  -0.14   0.78    -0.01   0.00  -0.02
    15   1    -0.00   0.00  -0.00     0.01  -0.01   0.00    -0.00   0.00  -0.00
    16   1    -0.02  -0.01  -0.02    -0.06  -0.04  -0.06     0.00   0.00   0.00
    17   1     0.06   0.38  -0.27    -0.03  -0.19   0.14     0.00   0.00  -0.00
    18   1     0.27  -0.07   0.14    -0.14   0.04  -0.07     0.00  -0.00   0.00
    19   1    -0.29   0.08   0.29     0.14  -0.04  -0.15    -0.00   0.00   0.00
    20   1    -0.19   0.06   0.19     0.18  -0.06  -0.18    -0.00   0.00   0.00
    21   1    -0.08  -0.21  -0.14     0.06   0.16   0.11    -0.00  -0.00  -0.00
    22   1     0.04   0.23  -0.18    -0.03  -0.19   0.15     0.00   0.00  -0.00
    23   1     0.00   0.02  -0.00     0.01   0.05  -0.01     0.01   0.02  -0.01
    24   1    -0.00  -0.00   0.00    -0.00  -0.01   0.00     0.00  -0.00   0.00
    25   1     0.00  -0.00   0.00     0.00  -0.00   0.01     0.10  -0.07   0.63
    26   1    -0.00  -0.00  -0.00    -0.01  -0.00  -0.00    -0.38  -0.05  -0.08
    27   1     0.00  -0.00  -0.00     0.01  -0.01  -0.01     0.37  -0.44  -0.33
                     64                     65                     66
                      A                      A                      A
 Frequencies --   3054.5170              3075.2246              3077.2020
 Red. masses --      1.0577                 1.1006                 1.0653
 Frc consts  --      5.8145                 6.1326                 5.9436
 IR Inten    --     33.7667                 5.6275                16.4610
 RamAct Fr= 1--    171.7420                23.2743               150.0057
  Dep-P Fr= 1--      0.0884                 0.7474                 0.0592
  Dep-U Fr= 1--      0.1624                 0.8554                 0.1117
 Alpha2 Fr= 1--      3.0935                 0.0010                 2.8989
 Beta2  Fr= 1--      4.6481                 3.3183                 2.7937
 AlphaG Fr= 1--     -0.8078                -0.0243                 1.6361
 Gamma2 Fr= 1--      0.5162                -2.0650               -11.7588
 Delta2 Fr= 1--     -4.8149                -2.9003                -8.9270
 Raman1 Fr= 1--     686.968                 93.097                600.023
 ROA1   Fr= 1--    -104.521               -291.047              -1414.504
 CID1   Fr= 1--      -0.152                 -3.126                 -2.357
 Raman2 Fr= 1--      55.777                 39.819                 33.524
 ROA2   Fr= 1--      50.908                -26.357               -210.795
 CID2   Fr= 1--       0.913                 -0.662                 -6.288
 Raman3 Fr= 1--     111.553                 79.638                 67.048
 ROA3   Fr= 1--    -104.521               -291.047              -1414.504
 CID3   Fr= 1--      -0.937                 -3.655                -21.097
 RC180  Fr= 1--      -0.675                  0.711                 -0.777
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.04  -0.03   0.07    -0.01  -0.00   0.01
     2   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     3   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.01
     4   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     5   6    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     6   6     0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
     7   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     8   6    -0.00   0.00  -0.00     0.02   0.01  -0.03     0.00   0.02   0.00
     9   6    -0.02  -0.02   0.06    -0.01  -0.00  -0.00     0.01   0.00   0.01
    10   6    -0.00   0.01   0.00     0.00   0.01   0.01    -0.01  -0.06  -0.03
    11   6    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    12   1     0.65   0.22  -0.17     0.05   0.02  -0.01    -0.07  -0.03   0.02
    13   1    -0.42   0.00  -0.54     0.03   0.00   0.05    -0.11   0.00  -0.15
    14   1     0.01  -0.01   0.05     0.00   0.00   0.00     0.02  -0.02   0.08
    15   1     0.06  -0.05   0.02     0.05  -0.04   0.01    -0.38   0.31  -0.11
    16   1    -0.03  -0.02  -0.03    -0.08  -0.05  -0.07     0.55   0.33   0.48
    17   1    -0.01  -0.05   0.03     0.07   0.49  -0.33     0.01   0.07  -0.05
    18   1    -0.01   0.00  -0.01    -0.04   0.00   0.00    -0.01   0.00  -0.00
    19   1     0.02  -0.01  -0.02     0.44  -0.15  -0.44     0.08  -0.03  -0.08
    20   1     0.02  -0.01  -0.02    -0.22   0.08   0.22     0.04  -0.01  -0.03
    21   1     0.01   0.03   0.02     0.00   0.00  -0.01    -0.04  -0.10  -0.07
    22   1    -0.01  -0.04   0.03    -0.04  -0.24   0.19    -0.01  -0.08   0.07
    23   1     0.00   0.01  -0.00    -0.00  -0.02   0.01     0.00   0.02  -0.01
    24   1     0.00   0.01  -0.00     0.00   0.00  -0.00    -0.00  -0.02   0.01
    25   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    26   1     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    27   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
                     67                     68                     69
                      A                      A                      A
 Frequencies --   3082.1453              3088.6110              3096.4145
 Red. masses --      1.1011                 1.1004                 1.0993
 Frc consts  --      6.1626                 6.1848                 6.2098
 IR Inten    --     48.5628                33.2501                 8.0798
 RamAct Fr= 1--    148.1868                79.9281                37.7895
  Dep-P Fr= 1--      0.7113                 0.7277                 0.7447
  Dep-U Fr= 1--      0.8313                 0.8424                 0.8537
 Alpha2 Fr= 1--      0.0992                 0.0305                 0.0034
 Beta2  Fr= 1--     20.5319                11.2221                 5.3767
 AlphaG Fr= 1--      0.3315                 0.0139                 0.0928
 Gamma2 Fr= 1--     -0.2632                 7.2747                 4.0867
 Delta2 Fr= 1--     11.1147                -2.6122                 3.8315
 Raman1 Fr= 1--     592.747                319.712                151.158
 ROA1   Fr= 1--     330.406                614.785                514.928
 CID1   Fr= 1--       0.557                  1.923                  3.407
 Raman2 Fr= 1--     246.382                134.665                 64.520
 ROA2   Fr= 1--     -95.234                195.491                 67.428
 CID2   Fr= 1--      -0.387                  1.452                  1.045
 Raman3 Fr= 1--     492.764                269.330                129.041
 ROA3   Fr= 1--     330.406                614.785                514.928
 CID3   Fr= 1--       0.671                  2.283                  3.990
 RC180  Fr= 1--       0.663                  0.685                  0.707
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.01   0.03    -0.01   0.00  -0.00    -0.00   0.00  -0.00
     2   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     3   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     4   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     5   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     6   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
     7   8    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     8   6    -0.04  -0.03   0.06    -0.00  -0.08  -0.05     0.00   0.00   0.00
     9   6     0.00   0.00   0.00     0.01   0.00   0.01     0.00   0.00   0.00
    10   6    -0.00   0.00   0.00    -0.00  -0.01  -0.00    -0.00   0.00  -0.00
    11   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.02  -0.03  -0.08
    12   1    -0.02  -0.00   0.00    -0.08  -0.03   0.02    -0.02  -0.01   0.00
    13   1    -0.03   0.00  -0.04    -0.06   0.00  -0.08    -0.01   0.00  -0.01
    14   1    -0.00   0.00  -0.02     0.01  -0.01   0.03     0.00   0.00   0.00
    15   1     0.02  -0.01   0.00    -0.08   0.06  -0.02     0.01  -0.01   0.00
    16   1    -0.01  -0.01  -0.01     0.08   0.05   0.07    -0.00  -0.00  -0.00
    17   1     0.03   0.25  -0.17    -0.00  -0.03   0.02    -0.00  -0.01   0.00
    18   1    -0.02  -0.00   0.00     0.07  -0.02   0.04     0.03  -0.01   0.01
    19   1     0.23  -0.08  -0.23     0.01  -0.00  -0.01     0.01  -0.00  -0.01
    20   1     0.42  -0.15  -0.40    -0.30   0.08   0.28    -0.00   0.00   0.00
    21   1     0.02   0.07   0.06     0.27   0.65   0.44    -0.00  -0.00  -0.00
    22   1     0.07   0.51  -0.39     0.04   0.20  -0.18    -0.00  -0.00   0.00
    23   1    -0.00  -0.02   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    24   1    -0.00  -0.00   0.00    -0.00  -0.01   0.00     0.00   0.00  -0.00
    25   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.13  -0.09   0.69
    26   1     0.00   0.00   0.00    -0.00   0.00   0.00    -0.01  -0.01  -0.02
    27   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.39   0.47   0.32
                     70                     71                     72
                      A                      A                      A
 Frequencies --   3096.9929              3100.1401              3123.9129
 Red. masses --      1.1026                 1.1027                 1.1064
 Frc consts  --      6.2308                 6.2441                 6.3612
 IR Inten    --     18.7827                34.3250                33.5559
 RamAct Fr= 1--     49.6066                76.3833                52.1033
  Dep-P Fr= 1--      0.4725                 0.6466                 0.7325
  Dep-U Fr= 1--      0.6418                 0.7854                 0.8456
 Alpha2 Fr= 1--      0.2769                 0.1422                 0.0156
 Beta2  Fr= 1--      5.3063                 9.9981                 7.3429
 AlphaG Fr= 1--      0.5127                 0.1311                -0.0726
 Gamma2 Fr= 1--    -61.1441                60.5315                21.9140
 Delta2 Fr= 1--    -33.8085                36.9616                 9.7840
 Raman1 Fr= 1--     198.426                305.533                208.413
 ROA1   Fr= 1--   -6951.702               6993.794               2416.828
 CID1   Fr= 1--     -35.034                 22.890                 11.596
 Raman2 Fr= 1--      63.676                119.977                 88.115
 ROA2   Fr= 1--   -1196.990               1157.063                447.663
 CID2   Fr= 1--     -18.798                  9.644                  5.080
 Raman3 Fr= 1--     127.352                239.953                176.230
 ROA3   Fr= 1--   -6951.702               6993.794               2416.828
 CID3   Fr= 1--     -54.587                 29.146                 13.714
 RC180  Fr= 1--       0.284                  0.571                  0.691
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.03  -0.02    -0.05   0.03  -0.02    -0.00   0.00  -0.00
     2   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     3   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
     4   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     5   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.01   0.00
     6   6     0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     7   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     8   6     0.00   0.01   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
     9   6     0.06   0.01   0.02    -0.06  -0.01  -0.02    -0.03  -0.00  -0.01
    10   6    -0.01   0.01  -0.00     0.02  -0.02   0.01    -0.08   0.02  -0.04
    11   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    12   1    -0.41  -0.14   0.12     0.43   0.15  -0.13     0.18   0.06  -0.05
    13   1    -0.25   0.01  -0.34     0.28  -0.01   0.38     0.15  -0.00   0.21
    14   1     0.00   0.00   0.00    -0.00   0.00  -0.00     0.01  -0.01   0.04
    15   1     0.18  -0.16   0.05    -0.22   0.20  -0.06     0.55  -0.49   0.15
    16   1    -0.02  -0.01  -0.02    -0.01  -0.01  -0.01     0.36   0.25   0.33
    17   1    -0.04  -0.17   0.12    -0.04  -0.17   0.12    -0.00  -0.01   0.01
    18   1     0.57  -0.13   0.30     0.53  -0.12   0.28     0.03  -0.01   0.02
    19   1     0.16  -0.05  -0.18     0.13  -0.04  -0.15     0.00  -0.00  -0.01
    20   1     0.01  -0.00  -0.01     0.03  -0.01  -0.03    -0.01   0.00   0.01
    21   1    -0.04  -0.09  -0.06     0.00   0.01   0.01     0.02   0.04   0.03
    22   1    -0.01  -0.05   0.04     0.00   0.02  -0.02     0.00   0.01  -0.01
    23   1    -0.00  -0.01   0.00     0.00   0.01  -0.00    -0.00  -0.02   0.01
    24   1     0.00   0.02  -0.01    -0.00  -0.02   0.01     0.01   0.07  -0.02
    25   1    -0.00   0.00  -0.03    -0.00   0.00  -0.00     0.00  -0.00   0.00
    26   1    -0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    27   1     0.02  -0.02  -0.01     0.00  -0.00  -0.00     0.00  -0.00  -0.00
                     73                     74                     75
                      A                      A                      A
 Frequencies --   3139.1454              3146.2521              3179.7836
 Red. masses --      1.0877                 1.1008                 1.0881
 Frc consts  --      6.3153                 6.4203                 6.4823
 IR Inten    --     10.8260                 9.9266                 6.5280
 RamAct Fr= 1--     77.4225                84.1207                49.5464
  Dep-P Fr= 1--      0.1655                 0.6255                 0.1952
  Dep-U Fr= 1--      0.2840                 0.7696                 0.3266
 Alpha2 Fr= 1--      1.1504                 0.1909                 0.6815
 Beta2  Fr= 1--      3.6651                10.7900                 2.6969
 AlphaG Fr= 1--      0.3722                -0.1787                -0.2016
 Gamma2 Fr= 1--      1.9948                 0.2749                -3.3629
 Delta2 Fr= 1--      4.0180                -3.3279                -0.0972
 Raman1 Fr= 1--     309.690                336.483                198.186
 ROA1   Fr= 1--     320.075                -80.100               -325.953
 CID1   Fr= 1--       1.034                 -0.238                 -1.645
 Raman2 Fr= 1--      43.982                129.481                 32.363
 ROA2   Fr= 1--      15.731                 33.221                -79.933
 CID2   Fr= 1--       0.358                  0.257                 -2.470
 Raman3 Fr= 1--      87.963                258.961                 64.726
 ROA3   Fr= 1--     320.075                -80.100               -325.953
 CID3   Fr= 1--       3.639                 -0.309                 -5.036
 RC180  Fr= 1--      -0.432                  0.539                 -0.347
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     2   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     3   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
     4   6    -0.01  -0.08   0.03     0.00   0.01  -0.00    -0.00  -0.00   0.00
     5   6    -0.00   0.01  -0.00     0.00  -0.00   0.00    -0.01  -0.08   0.03
     6   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     7   8     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     8   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     9   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    10   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.01  -0.00   0.00
    11   6    -0.01  -0.00  -0.00    -0.09   0.00  -0.03     0.00   0.00   0.00
    12   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    13   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    14   1    -0.02   0.01  -0.05     0.00  -0.00   0.01     0.00  -0.00   0.00
    15   1     0.03  -0.02   0.01    -0.01   0.00  -0.00    -0.06   0.05  -0.02
    16   1    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.01  -0.01  -0.01
    17   1     0.00   0.02  -0.02    -0.00  -0.00   0.00     0.00   0.00  -0.00
    18   1     0.01  -0.00   0.01    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    19   1     0.01  -0.00  -0.01    -0.00   0.00   0.00     0.00  -0.00  -0.00
    20   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    21   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    22   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    23   1     0.19   0.91  -0.29    -0.03  -0.15   0.05     0.02   0.08  -0.03
    24   1    -0.01  -0.07   0.02     0.00   0.03  -0.01     0.15   0.93  -0.31
    25   1     0.00  -0.00   0.03     0.03  -0.03   0.27    -0.00   0.00  -0.00
    26   1     0.16   0.03   0.03     0.88   0.14   0.18    -0.01  -0.00  -0.00
    27   1     0.01  -0.02  -0.01     0.13  -0.18  -0.13    -0.00   0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  6 and mass  12.00000
 Atom    10 has atomic number  6 and mass  12.00000
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  1 and mass   1.00783
 Atom    17 has atomic number  1 and mass   1.00783
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Atom    27 has atomic number  1 and mass   1.00783
 Molecular mass:   152.12012 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   811.577443283.795113606.96683
           X            0.99989   0.01392  -0.00590
           Y           -0.01391   0.99990   0.00197
           Z            0.00593  -0.00189   0.99998
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.10672     0.02638     0.02401
 Rotational constants (GHZ):           2.22374     0.54959     0.50035
 Zero-point vibrational energy     622607.3 (Joules/Mol)
                                  148.80672 (Kcal/Mol)
 Warning -- explicit consideration of  18 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     49.50    92.26   111.56   184.49   212.87
          (Kelvin)            243.53   341.07   365.48   387.46   398.78
                              442.94   499.16   536.85   637.28   676.21
                              762.38   821.69   852.60   924.94  1056.71
                             1157.59  1177.97  1236.32  1284.00  1307.99
                             1355.32  1376.61  1412.18  1423.26  1452.51
                             1475.04  1483.11  1512.56  1585.02  1592.92
                             1676.27  1727.86  1765.37  1789.99  1826.86
                             1838.72  1850.49  1864.19  1868.70  1939.92
                             1973.75  1998.89  2021.84  2045.63  2117.12
                             2129.75  2135.16  2139.94  2149.05  2163.00
                             2167.69  2173.49  2439.72  2498.37  4344.09
                             4349.58  4355.21  4374.79  4394.77  4424.56
                             4427.41  4434.52  4443.82  4455.05  4455.88
                             4460.41  4494.61  4516.53  4526.75  4575.00
 
 Zero-point correction=                           0.237139 (Hartree/Particle)
 Thermal correction to Energy=                    0.249545
 Thermal correction to Enthalpy=                  0.250490
 Thermal correction to Gibbs Free Energy=         0.198297
 Sum of electronic and zero-point Energies=           -465.872506
 Sum of electronic and thermal Energies=              -465.860099
 Sum of electronic and thermal Enthalpies=            -465.859155
 Sum of electronic and thermal Free Energies=         -465.911347
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  156.592             46.304            109.848
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.968
 Rotational               0.889              2.981             30.642
 Vibrational            154.815             40.342             38.238
 Vibration     1          0.594              1.983              5.558
 Vibration     2          0.597              1.971              4.326
 Vibration     3          0.599              1.964              3.952
 Vibration     4          0.611              1.925              2.972
 Vibration     5          0.617              1.905              2.698
 Vibration     6          0.625              1.880              2.444
 Vibration     7          0.656              1.784              1.825
 Vibration     8          0.665              1.756              1.702
 Vibration     9          0.674              1.730              1.601
 Vibration    10          0.678              1.716              1.551
 Vibration    11          0.698              1.659              1.374
 Vibration    12          0.725              1.582              1.180
 Vibration    13          0.745              1.527              1.067
 Vibration    14          0.803              1.376              0.817
 Vibration    15          0.827              1.317              0.738
 Vibration    16          0.885              1.184              0.587
 Vibration    17          0.927              1.094              0.502
 Vibration    18          0.950              1.048              0.463
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.616212D-91        -91.210270       -210.019407
 Total V=0       0.734210D+18         17.865820         41.137572
 Vib (Bot)       0.752882-105       -105.123273       -242.055281
 Vib (Bot)    1  0.601671D+01          0.779359          1.794540
 Vib (Bot)    2  0.321890D+01          0.507708          1.169040
 Vib (Bot)    3  0.265710D+01          0.424408          0.977236
 Vib (Bot)    4  0.159060D+01          0.201562          0.464114
 Vib (Bot)    5  0.137132D+01          0.137140          0.315776
 Vib (Bot)    6  0.119093D+01          0.075885          0.174731
 Vib (Bot)    7  0.828255D+00         -0.081836         -0.188435
 Vib (Bot)    8  0.766842D+00         -0.115294         -0.265474
 Vib (Bot)    9  0.717905D+00         -0.143933         -0.331418
 Vib (Bot)   10  0.694701D+00         -0.158202         -0.364273
 Vib (Bot)   11  0.614984D+00         -0.211136         -0.486159
 Vib (Bot)   12  0.532861D+00         -0.273386         -0.629494
 Vib (Bot)   13  0.486879D+00         -0.312579         -0.719740
 Vib (Bot)   14  0.389378D+00         -0.409629         -0.943205
 Vib (Bot)   15  0.358890D+00         -0.445039         -1.024739
 Vib (Bot)   16  0.301855D+00         -0.520202         -1.197809
 Vib (Bot)   17  0.269193D+00         -0.569936         -1.312326
 Vib (Bot)   18  0.253898D+00         -0.595341         -1.370822
 Vib (V=0)       0.897050D+04          3.952817          9.101697
 Vib (V=0)    1  0.653745D+01          0.815408          1.877546
 Vib (V=0)    2  0.375750D+01          0.574899          1.323754
 Vib (V=0)    3  0.320374D+01          0.505657          1.164317
 Vib (V=0)    4  0.216734D+01          0.335927          0.773501
 Vib (V=0)    5  0.195963D+01          0.292175          0.672757
 Vib (V=0)    6  0.179163D+01          0.253248          0.583125
 Vib (V=0)    7  0.146747D+01          0.166570          0.383542
 Vib (V=0)    8  0.141545D+01          0.150894          0.347447
 Vib (V=0)    9  0.137486D+01          0.138260          0.318355
 Vib (V=0)   10  0.135593D+01          0.132236          0.304485
 Vib (V=0)   11  0.129259D+01          0.111462          0.256651
 Vib (V=0)   12  0.123071D+01          0.090157          0.207594
 Vib (V=0)   13  0.119789D+01          0.078417          0.180562
 Vib (V=0)   14  0.113373D+01          0.054510          0.125514
 Vib (V=0)   15  0.111547D+01          0.047457          0.109275
 Vib (V=0)   16  0.108405D+01          0.035050          0.080706
 Vib (V=0)   17  0.106786D+01          0.028514          0.065657
 Vib (V=0)   18  0.106077D+01          0.025622          0.058996
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.737452D+08          7.867734         18.116127
 Rotational      0.110986D+07          6.045270         13.919748
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000001463   -0.000001274   -0.000001383
      2        6          -0.000002203    0.000003291    0.000008605
      3        6          -0.000001508   -0.000003767   -0.000009967
      4        6          -0.000000082    0.000000268   -0.000002699
      5        6          -0.000001455    0.000000084    0.000004146
      6        6           0.000000556   -0.000001081   -0.000006309
      7        8           0.000001566   -0.000001458   -0.000005002
      8        6           0.000001518   -0.000001582    0.000001446
      9        6           0.000001143   -0.000001528   -0.000002151
     10        6           0.000003553    0.000001693    0.000004543
     11        6          -0.000002702    0.000005116    0.000011505
     12        1          -0.000000364   -0.000001583    0.000001457
     13        1          -0.000000772    0.000000905    0.000000179
     14        1           0.000000525    0.000001726    0.000001307
     15        1           0.000000946   -0.000001239   -0.000002657
     16        1          -0.000000710    0.000001368   -0.000001011
     17        1           0.000000119    0.000000897    0.000001967
     18        1          -0.000000138   -0.000000133    0.000000591
     19        1           0.000000013   -0.000001073    0.000002184
     20        1          -0.000000457   -0.000000111    0.000002309
     21        1          -0.000000789    0.000000614    0.000001416
     22        1           0.000000004    0.000000086    0.000002122
     23        1          -0.000000071    0.000000363   -0.000000093
     24        1          -0.000000617   -0.000000241   -0.000000849
     25        1           0.000001085   -0.000002093   -0.000004450
     26        1          -0.000000300   -0.000000223   -0.000001733
     27        1          -0.000000325    0.000000975   -0.000005472
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000011505 RMS     0.000002800
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.169697D+03 -0.573224D+01  0.780514D+01
      2  -0.573224D+01  0.119124D+03 -0.428388D+01
      3   0.780514D+01 -0.428388D+01  0.102844D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.451925D+01 -0.344651D+01 -0.879038D+01
      2   0.492046D+02 -0.170912D+02 -0.294860D+02
      3  -0.349261D+01  0.192924D+02  0.140191D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.596731D+02 -0.156710D+02  0.415860D+02
      2  -0.164538D+02  0.183052D+02 -0.140087D+02
      3  -0.432193D+02 -0.263420D+01 -0.275773D+02
      4   0.832292D+01 -0.345345D+02 -0.386919D+02
      5   0.333086D+02 -0.388649D+02 -0.767763D+02
      6  -0.170128D+02  0.227432D+01  0.240627D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.107093D+01 -0.368371D+00 -0.474109D+01  0.922785D+00  0.681072D+00
      2  -0.368371D+00  0.619078D+00  0.261192D+01  0.681072D+00 -0.347864D+01
      3  -0.474109D+01  0.261192D+01  0.161083D+01  0.245762D+01  0.319261D+01
                 6             7             8             9            10 
      1   0.245762D+01 -0.604356D+01  0.279914D+01  0.185105D+01 -0.213739D+02
      2   0.319261D+01  0.279914D+01  0.343314D+01 -0.194248D+01  0.268688D+01
      3  -0.794058D+00  0.185105D+01 -0.194248D+01 -0.238375D+01  0.531747D+01
                11            12            13            14            15 
      1   0.268688D+01  0.531747D+01  0.122703D+02 -0.328955D+01 -0.288763D+01
      2  -0.218095D+01 -0.235570D+01 -0.328955D+01  0.418423D+01 -0.352783D+01
      3  -0.235570D+01 -0.117838D+01 -0.288763D+01 -0.352783D+01  0.192275D+01
                16            17            18            19            20 
      1   0.226741D+02 -0.386700D+01 -0.379193D+01  0.400080D+02 -0.407434D+01
      2  -0.386700D+01 -0.277219D+01  0.183602D+01 -0.407434D+01  0.286138D+01
      3  -0.379193D+01  0.183602D+01  0.625637D+00 -0.560860D+00  0.976364D+00
                21            22            23            24            25 
      1  -0.560860D+00 -0.155706D+02  0.366471D+01  0.182309D+01 -0.683344D+01
      2   0.976364D+00  0.366471D+01  0.152049D+01 -0.178935D+01  0.244798D+01
      3   0.224604D+01  0.182309D+01 -0.178935D+01 -0.250794D+01  0.617662D+01
                26            27            28            29            30 
      1   0.244798D+01  0.617662D+01 -0.540493D+02  0.490488D+01 -0.483540D+01
      2  -0.261675D+01 -0.261550D+01  0.490488D+01 -0.219730D+01 -0.215923D-02
      3  -0.261550D+01  0.525631D+01 -0.483540D+01 -0.215923D-02 -0.199908D+01
                31            32            33            34            35 
      1   0.152781D+02 -0.521577D+01  0.116713D+01 -0.172714D+02 -0.134291D+00
      2  -0.521577D+01 -0.161453D+01  0.127023D+01 -0.134291D+00  0.152263D+01
      3   0.116713D+01  0.127023D+01  0.888369D+00 -0.680322D+01  0.737166D+00
                36            37            38            39            40 
      1  -0.680322D+01  0.510387D+02 -0.659944D+01  0.730922D+01 -0.106591D+02
      2   0.737166D+00 -0.659944D+01  0.126298D+01 -0.448221D+00  0.399141D+01
      3  -0.511355D+01  0.730922D+01 -0.448221D+00  0.264251D+01 -0.672298D+00
                41            42            43            44            45 
      1   0.399141D+01 -0.672298D+00  0.172454D+02 -0.110565D+01  0.578988D+01
      2   0.230635D+01 -0.204754D+01 -0.110565D+01 -0.226504D+01 -0.871656D+00
      3  -0.204754D+01 -0.118777D+01  0.578988D+01 -0.871656D+00  0.280699D+01
                46            47            48            49            50 
      1  -0.385034D+02  0.668431D+01 -0.797179D+01  0.967152D+01 -0.336296D+01
      2   0.668431D+01 -0.193880D+01  0.222389D+01 -0.336296D+01 -0.198875D+01
      3  -0.797179D+01  0.222389D+01 -0.188958D+01  0.364546D+01  0.296285D+00
                51            52            53            54            55 
      1   0.364546D+01 -0.135654D+02  0.333312D+01 -0.280553D+01  0.334097D+02
      2   0.296285D+00  0.333312D+01  0.452684D+00  0.885159D+00 -0.620714D+01
      3   0.118319D+01 -0.280553D+01  0.885159D+00 -0.125275D+01  0.631191D+01
                56            57            58            59            60 
      1  -0.620714D+01  0.631191D+01 -0.232760D+02  0.673665D+01 -0.456313D+01
      2   0.296778D+01 -0.145108D+01  0.673665D+01 -0.509135D+01  0.206047D+01
      3  -0.145108D+01  0.257899D+01 -0.456313D+01  0.206047D+01 -0.215068D+01
                61            62            63            64            65 
      1   0.154797D+02 -0.217623D+01  0.701762D+01  0.383540D+01 -0.438998D+00
      2  -0.217623D+01  0.114504D+01 -0.269347D+01 -0.438998D+00  0.129896D+01
      3   0.701762D+01 -0.269347D+01  0.473262D+01 -0.445301D+01  0.267518D+01
                66            67            68            69            70 
      1  -0.445301D+01 -0.316052D+00  0.256780D+01  0.245983D+01 -0.821250D+01
      2   0.267518D+01  0.256780D+01 -0.129259D+01  0.473461D+01  0.261747D+01
      3   0.842249D+00  0.245983D+01  0.473461D+01 -0.999729D+00  0.303117D+01
                71            72            73            74            75 
      1   0.261747D+01  0.303117D+01  0.687807D+01  0.216208D+01 -0.365885D+01
      2   0.431824D+01 -0.154783D+01  0.216208D+01  0.494567D+00 -0.175738D+01
      3  -0.154783D+01  0.124821D+01 -0.365885D+01 -0.175738D+01 -0.201397D+01
                76            77            78            79            80 
      1   0.354115D+01  0.326683D+00 -0.211237D+01 -0.493439D+01 -0.101594D+01
      2   0.326683D+00 -0.504613D+01  0.317094D+01 -0.101594D+01  0.294977D+01
      3  -0.211237D+01  0.317094D+01  0.792321D+00 -0.202306D+01  0.139559D+01
                81            82            83            84            85 
      1  -0.202306D+01  0.632309D+00  0.154389D+01  0.975293D+00  0.523663D+00
      2   0.139559D+01  0.154389D+01 -0.248068D+01  0.268850D+01 -0.251843D+01
      3  -0.157197D+01  0.975293D+00  0.268850D+01  0.269080D+01  0.229142D+01
                86            87            88            89            90 
      1  -0.251843D+01  0.229142D+01 -0.625494D+00  0.361890D+01  0.270965D+01
      2   0.593015D+00  0.161355D+01  0.361890D+01  0.160188D+01 -0.718102D+00
      3   0.161355D+01 -0.465633D+00  0.270965D+01 -0.718102D+00 -0.133629D+01
                91            92            93            94            95 
      1  -0.897050D+01 -0.199917D+01 -0.218757D+01  0.221964D+00  0.355914D+01
      2  -0.199917D+01  0.362644D+01 -0.240588D+00  0.355914D+01  0.576665D+00
      3  -0.218757D+01 -0.240588D+00  0.159840D+01 -0.308136D+00 -0.155264D+01
                96            97            98            99           100 
      1  -0.308136D+00 -0.341262D+01 -0.441028D+00  0.270503D+00 -0.875530D+01
      2  -0.155264D+01 -0.441028D+00 -0.162281D+01 -0.212365D+01 -0.293414D+01
      3  -0.131970D+01  0.270503D+00 -0.212365D+01  0.446478D+01  0.360306D+01
               101           102           103           104           105 
      1  -0.293414D+01  0.360306D+01 -0.139137D+01 -0.199740D+01  0.982729D+00
      2  -0.239797D+01  0.135500D+01 -0.199740D+01 -0.140329D+01  0.758939D+00
      3   0.135500D+01 -0.223535D+01  0.982729D+00  0.758939D+00 -0.796623D+00
               106           107           108           109           110 
      1   0.993424D+00  0.909691D+00 -0.169215D+01  0.173398D+01 -0.389439D+00
      2   0.909691D+00  0.448491D+00 -0.101141D+01 -0.389439D+00  0.970209D+00
      3  -0.169215D+01 -0.101141D+01  0.201658D+01  0.152352D+01 -0.170632D+00
               111           112           113           114           115 
      1   0.152352D+01  0.436674D+00  0.149011D+00  0.132894D+00  0.809591D+00
      2  -0.170632D+00  0.149011D+00 -0.260100D-01  0.549255D+00 -0.469229D-01
      3   0.304955D+01  0.132894D+00  0.549255D+00 -0.274645D+00  0.130050D+01
               116           117           118           119           120 
      1  -0.469229D-01  0.130050D+01 -0.597404D+01  0.969980D+00 -0.187314D+01
      2   0.121814D+01 -0.104166D+01  0.969980D+00 -0.513123D+00  0.173694D+00
      3  -0.104166D+01  0.637318D+01 -0.187314D+01  0.173694D+00 -0.194385D+01
               121           122           123           124           125 
      1   0.562754D+01 -0.950453D+00  0.425920D+00 -0.290648D+01 -0.117807D+00
      2  -0.950453D+00  0.430584D+00 -0.118598D+01 -0.117807D+00 -0.956982D+00
      3   0.425920D+00 -0.118598D+01  0.144913D+01 -0.370939D+01  0.114336D+01
               126           127           128           129           130 
      1  -0.370939D+01  0.302617D+01 -0.167392D+01 -0.360835D+00 -0.908848D+00
      2   0.114336D+01 -0.167392D+01  0.361720D+01 -0.876676D-01  0.185977D+01
      3  -0.912868D+01 -0.360835D+00 -0.876676D-01  0.404301D+00 -0.194862D+00
               131           132           133           134           135 
      1   0.185977D+01 -0.194862D+00  0.504947D+00 -0.471040D+00 -0.223334D-02
      2  -0.563268D+01 -0.241364D+00 -0.471040D+00  0.741857D+00 -0.865367D+00
      3  -0.241364D+00 -0.702443D+00 -0.223334D-02 -0.865367D+00  0.267940D+00
               136           137           138           139           140 
      1  -0.392233D+01 -0.247320D+01 -0.172903D+01 -0.150511D+01 -0.181909D+01
      2  -0.247320D+01 -0.252198D+01 -0.166805D+01 -0.181909D+01 -0.340325D+01
      3  -0.172903D+01 -0.166805D+01 -0.217351D+01 -0.117773D+01 -0.194487D+01
               141           142           143           144           145 
      1  -0.117773D+01 -0.216991D+01 -0.187747D+01 -0.193105D+01  0.521273D+00
      2  -0.194487D+01 -0.187747D+01 -0.270771D+01 -0.208699D+01  0.102285D+01
      3  -0.150490D+01 -0.193105D+01 -0.208699D+01 -0.289108D+01  0.666289D-01
               146           147           148           149           150 
      1   0.102285D+01  0.666289D-01  0.691543D+00  0.224937D+00 -0.294101D+00
      2   0.570234D+00 -0.436677D+00  0.224937D+00  0.792742D+01 -0.160870D+01
      3  -0.436677D+00 -0.629694D-01 -0.294101D+00 -0.160870D+01  0.155087D+01
               151           152           153           154           155 
      1  -0.246380D+00 -0.315210D+00 -0.613467D-01  0.557486D+01 -0.241949D+00
      2  -0.315210D+00 -0.385932D+01  0.167025D+01 -0.241949D+00  0.140813D+01
      3  -0.613467D-01  0.167025D+01 -0.137790D+01  0.195407D+01  0.382644D+00
               156           157           158           159           160 
      1   0.195407D+01 -0.120037D+01  0.754259D+00 -0.169132D+00  0.154211D+01
      2   0.382644D+00  0.754259D+00 -0.136248D+00 -0.124934D+00  0.133605D+00
      3   0.202104D+01 -0.169132D+00 -0.124934D+00 -0.465667D+00  0.146363D+01
               161           162           163           164           165 
      1   0.133605D+00  0.146363D+01 -0.446816D+01  0.195410D+01  0.318815D+01
      2   0.228926D+00  0.476645D+00  0.195410D+01 -0.231280D+01 -0.189763D+01
      3   0.476645D+00  0.240847D+01  0.318815D+01 -0.189763D+01 -0.326706D+01
               166           167           168           169           170 
      1   0.427387D+00 -0.126688D+01 -0.951322D+00  0.261695D+01 -0.159700D+01
      2  -0.126688D+01  0.192571D+01  0.109377D+01 -0.159700D+01  0.169459D+01
      3  -0.951322D+00  0.109377D+01  0.105174D+01 -0.302350D+01  0.247719D+01
               171           172           173           174           175 
      1  -0.302350D+01 -0.770461D+01  0.202101D+01  0.243892D+01  0.205482D+01
      2   0.247719D+01  0.202101D+01 -0.130341D+01 -0.784521D+00 -0.199023D+01
      3   0.504506D+01  0.243892D+01 -0.784521D+00 -0.169443D+01 -0.689863D+00
               176           177           178           179           180 
      1  -0.199023D+01 -0.689863D+00  0.693264D+01 -0.179529D+01 -0.266722D+01
      2   0.131309D+01  0.186807D+00 -0.179529D+01  0.998321D+00  0.936282D+00
      3   0.186807D+00  0.636382D+00 -0.266722D+01  0.936282D+00  0.234006D+01
               181           182           183           184           185 
      1  -0.259155D+01 -0.140915D+01 -0.103867D+01 -0.322271D+01 -0.169653D+01
      2  -0.140915D+01 -0.105530D+01 -0.978164D+00 -0.169653D+01 -0.315248D+01
      3  -0.103867D+01 -0.978164D+00 -0.119657D+01 -0.181395D+01 -0.209047D+01
               186           187           188           189           190 
      1  -0.181395D+01 -0.148597D+01 -0.109737D+01 -0.210785D+01 -0.355235D+00
      2  -0.209047D+01 -0.109737D+01 -0.195726D+01 -0.128872D+01  0.653528D+00
      3  -0.206140D+01 -0.210785D+01 -0.128872D+01 -0.283879D+01 -0.149420D+00
               191           192           193           194           195 
      1   0.653528D+00 -0.149420D+00  0.189352D+01 -0.171191D+01  0.768120D+00
      2   0.356213D+00 -0.399262D+00 -0.171191D+01  0.531582D+01 -0.324761D+01
      3  -0.399262D+00  0.322279D+00  0.768120D+00 -0.324761D+01  0.277166D+01
               196           197           198           199           200 
      1  -0.607599D+00  0.664505D+00 -0.136397D+01 -0.175078D+00  0.139178D+01
      2   0.664505D+00 -0.323767D+01  0.275256D+01  0.139178D+01  0.914176D+00
      3  -0.136397D+01  0.275256D+01 -0.360955D+01 -0.754804D+00 -0.267796D+00
               201           202           203           204           205 
      1  -0.754804D+00  0.147144D+01  0.111733D+01 -0.454518D-01 -0.211761D+01
      2  -0.267796D+00  0.111733D+01  0.535518D+01 -0.190090D+01  0.319395D+00
      3  -0.791110D-01 -0.454518D-01 -0.190090D+01  0.144493D+01  0.812846D+00
               206           207           208           209           210 
      1   0.319395D+00  0.812846D+00  0.197436D+00 -0.111383D+01  0.430629D+00
      2  -0.165040D+01  0.105382D+01 -0.111383D+01 -0.927060D-01 -0.941564D-02
      3   0.105382D+01 -0.664827D+00  0.430629D+00 -0.941564D-02  0.128558D+00
               211           212           213           214           215 
      1  -0.222838D+01 -0.538478D+00 -0.815571D-01  0.778147D+00 -0.147845D+00
      2  -0.538478D+00 -0.623510D+01  0.151243D+01 -0.147845D+00  0.194930D+01
      3  -0.815571D-01  0.151243D+01 -0.120199D+01 -0.229988D+00 -0.106354D+01
               216           217           218           219           220 
      1  -0.229988D+00  0.135188D+01  0.219232D+00 -0.511019D+00  0.115472D+01
      2  -0.106354D+01  0.219232D+00 -0.885332D+00  0.186015D+00  0.126523D+00
      3   0.710028D+00 -0.511019D+00  0.186015D+00 -0.534361D+00  0.250152D-01
               221           222           223           224           225 
      1   0.126523D+00  0.250152D-01 -0.222920D+01 -0.104288D+01  0.992774D+00
      2   0.115247D+01 -0.957592D+00 -0.104288D+01 -0.213032D+01  0.213819D+01
      3  -0.957592D+00  0.985355D+00  0.992774D+00  0.213819D+01 -0.730915D+01
               226           227           228           229           230 
      1   0.102825D+02  0.286809D+01  0.683732D+00  0.139183D+01  0.111071D+01
      2   0.286809D+01  0.174735D+01  0.188785D+00  0.111071D+01  0.836926D+00
      3   0.683732D+00  0.188785D+00  0.116576D+01  0.166434D+00  0.345639D+00
               231           232           233           234           235 
      1   0.166434D+00  0.165554D+01  0.553495D+00  0.119111D+01 -0.576072D+00
      2   0.345639D+00  0.553495D+00  0.669609D+00  0.596371D+00  0.840472D+00
      3   0.272290D+00  0.119111D+01  0.596371D+00  0.121725D+00  0.102289D+01
               236           237           238           239           240 
      1   0.840472D+00  0.102289D+01  0.269955D+01 -0.512320D+00 -0.384124D+00
      2  -0.283433D+01 -0.507052D+00 -0.512320D+00  0.506310D+01  0.143423D+01
      3  -0.507052D+00 -0.103309D+01 -0.384124D+00  0.143423D+01  0.148420D+01
               241           242           243 
      1   0.142939D+01 -0.148334D+00 -0.394898D+00
      2  -0.148334D+00  0.240383D+01  0.177177D+01
      3  -0.394898D+00  0.177177D+01  0.106067D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.110323D+02 -0.528412D+01  0.415257D+00 -0.212716D+01 -0.132003D+02
      2   0.151744D+02 -0.285848D+01  0.545073D+01 -0.634040D+01 -0.465196D+01
      3  -0.665684D+01 -0.361566D+01 -0.577443D+01  0.517514D+01 -0.518930D+01
                 6             7             8             9            10 
      1   0.427680D+01 -0.990647D+00  0.125528D+02  0.317680D+01 -0.120088D+02
      2  -0.158944D+01 -0.330822D+00 -0.881901D+00  0.214394D+01 -0.376171D+02
      3   0.101290D+02 -0.474306D+01  0.122351D+02 -0.195532D+00  0.552668D+01
                11            12            13            14            15 
      1   0.361504D+01  0.193984D+01  0.176973D+01  0.592956D+01 -0.810069D+01
      2   0.852401D+01  0.631233D+01  0.221823D+02  0.651096D+01 -0.529861D+01
      3  -0.808562D+01 -0.373386D+01 -0.804744D+00  0.707061D+01 -0.120063D+02
                16            17            18            19            20 
      1   0.110988D+02  0.145915D+00 -0.122847D-01  0.123868D+02 -0.421618D+01
      2   0.208569D+02 -0.488829D+01 -0.506574D+01  0.407582D+02 -0.556644D+01
      3  -0.413193D+01 -0.131777D+02  0.307697D+01 -0.693293D+01 -0.140977D+01
                21            22            23            24            25 
      1  -0.301871D+01 -0.852091D+01 -0.552640D+01  0.224289D+00 -0.130090D+02
      2   0.115564D+01 -0.217869D+02  0.544196D+01  0.464773D+01 -0.210688D+02
      3   0.125134D+01  0.122085D+02 -0.979807D-01 -0.211649D+01 -0.654373D+00
                26            27            28            29            30 
      1   0.741289D+01  0.251711D+01 -0.126469D+02  0.141335D+01  0.105136D+01
      2   0.509363D+01  0.458402D+01 -0.380194D+02  0.182753D+01 -0.751687D+01
      3  -0.456706D+00 -0.261984D+01  0.822931D+01  0.366225D+01  0.313154D+01
                31            32            33            34            35 
      1   0.325251D+01  0.339819D+01 -0.271959D+01  0.324588D+01  0.211420D+01
      2   0.865815D+01 -0.311160D+01  0.152290D+01 -0.480575D+02  0.354381D+01
      3   0.191466D+02 -0.236504D+01  0.153365D+01  0.106089D+02  0.680478D+00
                36            37            38            39            40 
      1  -0.742421D+00  0.106821D+02 -0.148474D+01 -0.247489D+01 -0.948792D+01
      2  -0.115609D+02  0.432139D+02 -0.367216D+01  0.135023D+02 -0.551147D+01
      3   0.146767D+01  0.723646D+00 -0.687348D+01 -0.219380D+01  0.824543D+01
                41            42            43            44            45 
      1   0.497747D+00 -0.208501D+01 -0.470640D+01  0.143837D+01 -0.892065D+00
      2  -0.149418D+01  0.169143D+01  0.162725D+02  0.240932D+00  0.791351D+01
      3  -0.111956D+02  0.603937D+01 -0.784546D+01  0.421220D+01 -0.174937D+01
                46            47            48            49            50 
      1  -0.928730D+01 -0.110102D+01  0.876134D+01 -0.100118D+01  0.850957D+01
      2  -0.266120D+02  0.410124D+01 -0.194904D+02  0.345597D+01 -0.743112D+00
      3  -0.768333D+01  0.977748D+01  0.353606D+01  0.175299D+02  0.595676D+01
                51            52            53            54            55 
      1   0.269625D+01  0.229568D+01  0.137168D+02 -0.430235D+01  0.513265D+01
      2   0.422071D+01 -0.297569D+02 -0.890937D+00 -0.102362D+02  0.219413D+02
      3   0.126009D+01  0.124288D+01  0.548698D+01 -0.121725D+01  0.193081D+01
                56            57            58            59            60 
      1   0.163964D+01 -0.189196D+01 -0.214713D+01 -0.299485D+01 -0.431910D+01
      2  -0.412298D+01  0.193590D+02 -0.145298D+02  0.645077D+01 -0.124566D+02
      3  -0.172514D+02 -0.244779D+00 -0.557216D+01  0.162427D+02 -0.341521D+01
                61            62            63            64            65 
      1   0.375168D+01  0.694113D-01  0.259816D+01  0.395172D+01 -0.352465D+01
      2   0.185951D+02 -0.576664D+01  0.175706D+02  0.166087D+02 -0.100250D+02
      3  -0.115010D+01 -0.832745D+01  0.443219D+01  0.295162D+01  0.276484D+01
                66            67            68            69            70 
      1  -0.375978D+01 -0.508993D+01 -0.376233D+01 -0.431266D+01 -0.702089D+01
      2  -0.610628D+01 -0.887139D+01 -0.166115D+02  0.567097D+01 -0.210900D+02
      3   0.675029D+01  0.142327D+02 -0.311323D+01  0.216438D+02  0.592015D+01
                71            72            73            74            75 
      1   0.672705D+00 -0.601668D+00 -0.811813D+00 -0.346933D+01 -0.754909D+01
      2   0.860260D+01 -0.367090D+01  0.641916D+01 -0.175426D+01  0.132654D+02
      3   0.205032D+02 -0.345182D+01  0.554929D-02 -0.524085D+01 -0.228749D+00
                76            77            78            79            80 
      1   0.168551D+01 -0.304068D+01  0.553861D+01 -0.479599D+01  0.111600D+02
      2   0.397113D+01 -0.714166D+01  0.107240D+01  0.227200D+01 -0.940374D+00
      3   0.181719D+01 -0.129367D+02  0.113257D+02  0.464169D+00  0.111567D+02
                81            82            83            84            85 
      1   0.126355D+01  0.313555D+00  0.104543D+02  0.787904D+01  0.141867D+02
      2   0.793722D+01  0.670416D+00 -0.181657D+01 -0.556527D+00 -0.367806D+01
      3   0.833150D+01  0.311436D+01 -0.131687D+02  0.204680D+01 -0.439797D+01
                86            87            88            89            90 
      1   0.472131D+01 -0.724106D+01  0.555208D+01 -0.182381D+01 -0.401011D+01
      2  -0.344421D+01  0.185505D+01 -0.878522D+01  0.265977D+01  0.254635D+01
      3   0.731671D+01 -0.346640D+01  0.315911D+01 -0.710407D+01 -0.951384D+01
                91            92            93            94            95 
      1   0.306011D+01 -0.329464D+01 -0.515925D+01  0.580052D+00  0.332694D+01
      2  -0.107723D+02 -0.103244D+01  0.774307D+01 -0.960654D-01 -0.408159D+01
      3  -0.136150D+01 -0.209270D+02 -0.289994D+01 -0.867376D+01  0.370268D+01
                96            97            98            99           100 
      1  -0.127298D+01  0.523286D+01  0.104710D+02 -0.822583D+01  0.125664D+01
      2  -0.305300D+01 -0.474409D+01 -0.883389D+01  0.161676D+02  0.111324D+01
      3   0.579575D+01 -0.143600D+01  0.797623D+01  0.103694D+02  0.407445D+01
               101           102           103           104           105 
      1  -0.251172D+01 -0.212413D+01 -0.632325D+00 -0.721307D+00 -0.174573D+01
      2  -0.704726D+00  0.418759D+01  0.136247D+01 -0.986542D-01  0.117979D+01
      3  -0.535669D+01 -0.766468D+00 -0.667434D+00 -0.160340D+01 -0.110217D+00
               106           107           108           109           110 
      1  -0.923620D+00  0.423073D+00  0.160743D+01  0.105474D+01  0.256063D+01
      2  -0.198720D+01  0.120252D+01 -0.373056D+01 -0.657231D+01  0.114082D+01
      3  -0.106559D+01  0.606374D+00 -0.406552D+00 -0.352160D+01  0.137526D+01
               111           112           113           114           115 
      1   0.399264D+01  0.608643D+00  0.137541D+01 -0.759940D+00  0.206259D+01
      2  -0.846060D+01  0.705542D+00 -0.178574D+01  0.639499D-01 -0.864026D+01
      3  -0.274146D+01  0.148145D+01 -0.164866D-01  0.785465D+00 -0.266456D+01
               116           117           118           119           120 
      1   0.254179D+01  0.662661D+01 -0.583486D+00  0.110292D+01 -0.299194D+00
      2   0.207096D+01 -0.160534D+02 -0.580987D+01  0.107994D+01  0.836158D+00
      3   0.177730D+01 -0.459679D+01  0.142976D+01 -0.167774D+01  0.742765D+00
               121           122           123           124           125 
      1   0.286687D+01 -0.522495D+00  0.855628D+00  0.239738D+01  0.479108D+01
      2   0.628066D+01 -0.347730D+00 -0.940853D+00 -0.287621D+01 -0.839979D+00
      3   0.882786D+00  0.429161D-01 -0.104820D+01  0.635233D+00 -0.103340D+01
               126           127           128           129           130 
      1  -0.251616D+01  0.981788D+00 -0.240308D+01  0.226490D+01 -0.930707D+00
      2   0.414051D+01  0.298417D+00  0.102794D+00  0.357693D+00  0.966806D+00
      3   0.150753D+01 -0.152400D+02  0.836175D+01  0.654074D+00  0.100478D+02
               131           132           133           134           135 
      1   0.207886D+01 -0.365266D+01  0.781926D+00 -0.914403D+00  0.140057D+01
      2   0.273832D+00 -0.455039D+00 -0.101503D+01  0.851719D+00 -0.456445D+00
      3  -0.128247D+02 -0.176045D+00 -0.217187D+01  0.259504D+01 -0.150333D+01
               136           137           138           139           140 
      1  -0.275534D+01 -0.202495D+01 -0.513050D+01 -0.158906D+01 -0.231068D+01
      2  -0.137761D+01  0.902761D+00  0.312900D+01  0.430506D+00  0.128762D+01
      3   0.496700D+01 -0.775901D+00  0.134146D+01  0.257217D+01 -0.254543D+01
               141           142           143           144           145 
      1  -0.325792D+01 -0.359822D+01 -0.107393D+01 -0.596446D+01  0.977368D+00
      2   0.200899D+01 -0.707677D-01  0.184238D+01  0.295546D+01 -0.986615D+00
      3  -0.214157D+00  0.274721D+01 -0.790503D+00  0.135464D+01  0.386660D+01
               146           147           148           149           150 
      1   0.187751D+01 -0.972661D+00  0.100662D+01  0.122655D+02 -0.797411D+01
      2  -0.425053D+00  0.677092D+00 -0.577901D+00  0.604603D+00 -0.120743D+01
      3   0.206743D+01 -0.972722D+00  0.504654D+01  0.140211D+02 -0.323508D+01
               151           152           153           154           155 
      1  -0.355816D+00 -0.627421D+01  0.610947D+01 -0.458067D+01  0.265231D+01
      2  -0.573359D+00 -0.134119D+01  0.153854D+01 -0.146984D+02  0.549161D+00
      3  -0.307074D+01 -0.788658D+01  0.289181D+01  0.130853D+02 -0.698739D+00
               156           157           158           159           160 
      1  -0.361181D+01  0.171869D+01 -0.839200D+00 -0.248392D+00 -0.309042D+01
      2  -0.385417D+01  0.292470D+01 -0.121762D+01  0.786994D+00 -0.720189D+01
      3   0.451158D+01 -0.860425D-01  0.123853D+01 -0.723396D+00  0.405339D+01
               161           162           163           164           165 
      1   0.962169D+00 -0.343485D+01 -0.403924D+01 -0.482199D-01  0.486013D+01
      2  -0.654516D+00 -0.467226D+01 -0.495687D+00  0.198443D+01  0.393636D+01
      3  -0.894797D+00  0.372978D+01 -0.388927D+01 -0.298895D+01  0.167832D+01
               166           167           168           169           170 
      1   0.618283D+00  0.293926D+00 -0.241608D+01  0.402662D+01 -0.826582D+00
      2  -0.774756D+00 -0.552531D+00 -0.609283D+00 -0.188454D+01 -0.229853D+01
      3   0.966683D+00  0.161140D+01 -0.337380D+00  0.434111D+01  0.799277D+00
               171           172           173           174           175 
      1  -0.734293D+01 -0.360934D+01  0.915941D+00  0.265261D+01  0.141373D+01
      2  -0.613834D+01 -0.128356D+02  0.438199D+01  0.106457D+02  0.379112D+01
      3  -0.919734D+00 -0.188533D+00 -0.576384D+01 -0.105853D+01 -0.408880D+01
               176           177           178           179           180 
      1  -0.509630D+00 -0.158403D+01  0.339102D+01  0.159115D+00 -0.285107D+01
      2  -0.169733D+01 -0.355053D+01  0.114200D+02 -0.427781D+01 -0.117818D+02
      3   0.354163D+01 -0.549847D-01 -0.870094D+00  0.325623D+01  0.133113D+01
               181           182           183           184           185 
      1   0.184427D+01  0.192365D+01  0.116990D+01  0.200500D+01  0.548902D+01
      2   0.208361D+01  0.235658D+01  0.469491D+01  0.317368D+01  0.675639D+01
      3  -0.652200D+01 -0.581429D+01 -0.446823D+01 -0.585822D+01 -0.149205D+02
               186           187           188           189           190 
      1   0.155133D+01  0.215641D+01  0.421370D+01  0.216586D+01 -0.331123D+00
      2   0.724303D+01  0.424701D+01  0.414672D+01  0.889193D+01  0.103870D+01
      3  -0.900365D+01 -0.450454D+01 -0.925267D+01 -0.612442D+01  0.285184D+01
               191           192           193           194           195 
      1   0.425324D-01 -0.125910D+00 -0.200299D+00 -0.164137D+01 -0.260305D+01
      2   0.167984D+01 -0.193146D+00 -0.445952D+00  0.107558D+02 -0.997169D+01
      3   0.881068D+00 -0.141181D+01 -0.169796D+01  0.178092D+02 -0.111177D+02
               196           197           198           199           200 
      1   0.916983D+00  0.163562D+01  0.244624D+01  0.115218D+00 -0.145693D+01
      2   0.229978D+01 -0.936747D+01  0.118092D+02 -0.303539D+00  0.156205D+01
      3   0.541992D+00 -0.120440D+02  0.905008D+01  0.615572D+00 -0.196750D+00
               201           202           203           204           205 
      1  -0.416184D+00 -0.267659D+01 -0.606644D+01 -0.131960D+01 -0.550368D+01
      2  -0.465839D+00  0.240188D+01  0.115311D+01  0.550668D+00 -0.273418D+01
      3   0.272888D+00  0.276409D+01 -0.201061D+01 -0.178652D+00 -0.147569D+01
               206           207           208           209           210 
      1   0.243797D+01 -0.122414D+01  0.102241D+01 -0.206993D-01 -0.139560D+00
      2   0.246642D-01  0.474200D+00  0.244830D+01 -0.453255D+00  0.418090D+00
      3   0.561348D+00 -0.102246D+01  0.377857D+01  0.108162D+01 -0.300906D+00
               211           212           213           214           215 
      1  -0.849502D+00  0.651509D+00 -0.355776D+01 -0.196338D+01  0.193719D+00
      2  -0.427899D+00  0.371130D+01 -0.244805D+01 -0.361729D+01 -0.247273D+01
      3   0.693197D+01  0.134668D+02 -0.328073D+01 -0.129704D+01 -0.409592D+01
               216           217           218           219           220 
      1   0.632040D+00 -0.350834D+00 -0.340118D+00  0.132068D+01 -0.136092D+01
      2   0.112185D+01 -0.116740D+01  0.812635D+00 -0.176953D+01  0.195908D+01
      3   0.231374D+01 -0.444723D+00  0.264522D+01 -0.180229D+01  0.251340D+00
               221           222           223           224           225 
      1   0.101598D+01 -0.190094D+01 -0.248879D+01 -0.250407D+01  0.128783D+02
      2  -0.303382D+01  0.316587D+01  0.131423D+01  0.744356D+01 -0.251106D+02
      3  -0.438362D+01  0.308736D+01 -0.406162D-02  0.558108D+01 -0.743976D+01
               226           227           228           229           230 
      1  -0.237707D+01 -0.676880D+00 -0.217568D+01 -0.742889D+00 -0.769364D+00
      2   0.635838D+01  0.178283D+01  0.661241D+01  0.149439D+01  0.163055D+01
      3   0.408220D+01 -0.487887D+01  0.603580D+00  0.583126D+00 -0.131256D+01
               231           232           233           234           235 
      1  -0.135683D+01 -0.116817D+01 -0.208991D-01 -0.294579D+00 -0.429693D+00
      2   0.140291D+01  0.335484D+01  0.187054D+01  0.103245D+01  0.304474D+01
      3  -0.106547D+01  0.340826D+00 -0.221565D+01 -0.977465D+00 -0.592654D+01
               236           237           238           239           240 
      1   0.365949D+01  0.254159D+01  0.174037D+01 -0.550504D+01 -0.413523D+01
      2  -0.250073D+01 -0.244967D+01 -0.717739D+00  0.543637D+01  0.449719D+01
      3   0.125433D+02  0.421949D+01  0.680970D+01 -0.203727D+02 -0.615055D+01
               241           242           243 
      1  -0.160813D+00 -0.411039D+01 -0.314947D+01
      2  -0.104433D+01  0.672719D+01  0.375023D+01
      3   0.303011D+01 -0.101481D+02 -0.811822D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.141231D+02 -0.141340D+01  0.776405D+01 -0.483474D+01  0.157642D+01
      2   0.536946D+01 -0.582565D+01 -0.174974D+01 -0.194125D+01 -0.181058D+02
      3  -0.194925D+02  0.723905D+01 -0.601431D+01  0.677599D+01  0.165294D+02
      4  -0.114131D+01 -0.297914D+01 -0.204831D+02 -0.286589D+01  0.127900D+02
      5   0.144896D+02 -0.118858D+02 -0.163760D+02 -0.104882D+02 -0.801931D+01
      6  -0.146947D+02  0.124264D+02  0.105562D+02  0.686187D+01  0.128466D+02
                 6             7             8             9            10 
      1  -0.169912D+02  0.621277D+01 -0.188572D+02 -0.973381D+00 -0.179218D+02
      2   0.218322D+02 -0.171291D+01  0.280983D+02  0.229732D+01  0.712260D+01
      3  -0.484096D+01 -0.449986D+01 -0.924105D+01 -0.132394D+01  0.107992D+02
      4  -0.305897D+01 -0.230297D+02 -0.204642D+00  0.129200D+02  0.192746D+01
      5   0.806210D+01 -0.184733D+02  0.133641D+02  0.132250D+02 -0.262481D+02
      6   0.807276D+00  0.120648D+02 -0.353445D+01 -0.761716D+01  0.959456D+01
                11            12            13            14            15 
      1   0.347158D+01 -0.186219D+02  0.108138D+02  0.920911D+01  0.132971D+02
      2  -0.999983D+00  0.449202D+01 -0.485916D+01  0.256277D+01 -0.680242D+01
      3  -0.247159D+01  0.141299D+02 -0.595463D+01 -0.117719D+02 -0.649465D+01
      4   0.750944D+01  0.128249D+02  0.984273D+01 -0.228666D+02  0.139835D+02
      5   0.103291D+02  0.381644D+01  0.115265D+02  0.186228D+02 -0.795197D+01
      6  -0.908848D+01 -0.311036D+01  0.115527D+01  0.754443D+00 -0.661322D+01
                16            17            18            19            20 
      1  -0.188961D+02  0.170916D+02 -0.221087D+01  0.366397D+02  0.428872D+01
      2   0.501022D+00 -0.157726D+02 -0.381150D+01 -0.124550D+02 -0.631796D+01
      3   0.183951D+02 -0.131896D+01  0.602237D+01 -0.241847D+02  0.202924D+01
      4   0.164811D+02  0.942549D+01 -0.752187D+01  0.972259D+00 -0.432827D+01
      5   0.148266D+02 -0.919441D+01  0.326304D-01  0.201318D+01 -0.146159D+01
      6  -0.809891D+01 -0.147441D+00  0.235756D+01 -0.579354D+01  0.281565D+01
                21            22            23            24            25 
      1   0.587768D+01  0.430383D+00 -0.386286D+01 -0.773742D+01  0.268265D+02
      2   0.449996D+01 -0.251530D+01 -0.561353D+01 -0.345778D+00  0.578768D+01
      3  -0.103776D+02  0.208492D+01  0.947640D+01  0.808320D+01 -0.326142D+02
      4  -0.301634D+01 -0.726900D+01 -0.247389D+01  0.238822D+01 -0.120665D+02
      5  -0.426419D+01 -0.512942D+01  0.403968D+00  0.628695D+01 -0.150380D+02
      6   0.336665D+01  0.684871D-01 -0.562124D+01  0.276290D+01  0.446540D+01
                26            27            28            29            30 
      1  -0.103964D+02  0.199414D+02 -0.110866D+03  0.780094D+01 -0.127312D+02
      2   0.597351D+01  0.925499D+01  0.439128D+02 -0.532009D+01  0.466850D+01
      3   0.442290D+01 -0.291964D+02  0.669532D+02 -0.248085D+01  0.806268D+01
      4   0.569414D+01  0.832310D+01  0.131938D+02 -0.110151D+02  0.870307D+00
      5   0.984017D+01 -0.173577D+02 -0.499083D+01 -0.634346D+00 -0.883753D+01
      6   0.251189D+00 -0.102965D+01  0.904846D+01  0.269448D+01  0.140581D+01
                31            32            33            34            35 
      1   0.405426D+02 -0.511469D+01  0.198518D+01 -0.451037D+02 -0.217070D+01
      2  -0.194023D+02  0.297707D+01  0.362230D-01  0.122636D+02  0.363329D+01
      3  -0.211403D+02  0.213762D+01 -0.202140D+01  0.328401D+02 -0.146259D+01
      4  -0.109300D+02 -0.159566D+01  0.133725D+01  0.770143D+01 -0.316172D+01
      5   0.805508D+01  0.274612D+01  0.582270D+00 -0.100769D+02 -0.128287D+01
      6   0.148976D+01  0.939108D+01 -0.881272D+00  0.111288D+01  0.303606D+01
                36            37            38            39            40 
      1  -0.301809D+02  0.151887D+03 -0.215190D+02  0.302486D+02 -0.195394D+02
      2   0.117083D+00 -0.667714D+02  0.100768D+02 -0.111516D+02  0.491622D+01
      3   0.300639D+02 -0.851153D+02  0.114423D+02 -0.190970D+02  0.146232D+02
      4   0.283329D+01 -0.404889D+02  0.137283D+02 -0.594816D+01  0.150931D+02
      5  -0.142118D+02  0.255964D+02 -0.213145D+01  0.194153D+02  0.328482D+01
      6   0.476112D+01 -0.122196D+02 -0.122837D+01 -0.339189D+01 -0.132165D+01
                41            42            43            44            45 
      1   0.110524D+02 -0.924044D+01  0.413413D+02 -0.954813D+01  0.105641D+02
      2  -0.949567D+01  0.404568D+01 -0.188173D+02  0.841533D+01 -0.749655D+01
      3  -0.155673D+01  0.519476D+01 -0.225241D+02  0.113280D+01 -0.306755D+01
      4   0.103378D+02 -0.609025D+01 -0.550293D+01 -0.734616D+01 -0.413011D+01
      5  -0.808317D+01 -0.585129D+00  0.284811D+02 -0.472282D+01  0.729470D+01
      6   0.559568D+01  0.314832D+01 -0.931085D+01  0.537824D+01  0.340961D+00
                46            47            48            49            50 
      1  -0.136399D+03  0.333517D+02 -0.271341D+02  0.549129D+02 -0.214350D+02
      2   0.636652D+02 -0.157904D+02  0.157136D+02 -0.332846D+02  0.476848D+01
      3   0.727342D+02 -0.175614D+02  0.114206D+02 -0.216284D+02  0.166665D+02
      4   0.608715D+02 -0.328815D+02  0.174766D+02 -0.323729D+02 -0.122228D+02
      5  -0.457837D+02  0.135274D+02 -0.275193D+02  0.269633D+02  0.284943D+00
      6   0.179596D+02 -0.626505D+01  0.306357D+01  0.111445D+00  0.475038D+01
                51            52            53            54            55 
      1   0.167086D+02 -0.612473D+02  0.145749D+02 -0.178653D+02  0.159184D+03
      2  -0.136898D+02  0.301079D+02 -0.378925D+01  0.580324D+01 -0.783175D+02
      3  -0.301882D+01  0.311393D+02 -0.107856D+02  0.120621D+02 -0.808664D+02
      4   0.589774D+00  0.327690D+02 -0.302715D+01  0.728039D+01 -0.623306D+02
      5   0.472649D+01 -0.142896D+02  0.512742D+01 -0.150929D+02  0.415282D+02
      6  -0.542968D+01  0.201416D+01  0.890182D+00  0.596862D+01 -0.984276D+01
                56            57            58            59            60 
      1  -0.364549D+02  0.292578D+02 -0.935958D+02  0.272726D+02 -0.151703D+02
      2   0.134494D+02 -0.182446D+02  0.387720D+02 -0.235184D+01  0.902412D+01
      3   0.230056D+02 -0.110132D+02  0.548238D+02 -0.249208D+02  0.614615D+01
      4   0.396743D+02 -0.133961D+02  0.650429D+02 -0.453097D+02  0.164268D+02
      5  -0.113431D+02  0.321652D+02 -0.269266D+02  0.137423D+02 -0.175981D+02
      6   0.456056D+01 -0.613054D+01  0.114945D+02 -0.671469D+01  0.118035D+02
                61            62            63            64            65 
      1   0.595260D+02 -0.684095D+01  0.266938D+02 -0.136203D+02  0.984047D+00
      2  -0.343720D+02  0.500610D+01 -0.222614D+02  0.548116D+01  0.203938D+01
      3  -0.251540D+02  0.183486D+01 -0.443243D+01  0.813913D+01 -0.302343D+01
      4  -0.221513D+02  0.128326D+02 -0.210589D+02  0.185948D+01 -0.827828D+01
      5   0.530794D+02 -0.194981D+02  0.376368D+02  0.340508D+02 -0.202757D+02
      6  -0.108221D+02  0.111335D+02 -0.989667D+01 -0.105935D+02  0.295518D+01
                66            67            68            69            70 
      1   0.283555D+02 -0.336173D+01 -0.610973D+01 -0.274966D+02  0.420663D+02
      2  -0.112961D+02  0.587464D+01  0.534925D+01  0.188763D+02 -0.162502D+02
      3  -0.170594D+02 -0.251290D+01  0.760479D+00  0.862030D+01 -0.258161D+02
      4  -0.226197D+02 -0.167809D+02  0.684411D+01 -0.272047D+02 -0.247456D+02
      5  -0.734187D+01 -0.188829D+02 -0.297135D+02  0.414762D+01 -0.201141D+02
      6  -0.660163D-01 -0.179960D+01  0.104186D+02 -0.110853D+02  0.308069D+01
                71            72            73            74            75 
      1  -0.300610D+02 -0.109093D+02 -0.169769D+02 -0.133725D+02  0.211916D+02
      2   0.210951D+02  0.516836D+01  0.102945D+02  0.714975D+01  0.312283D+01
      3   0.896595D+01  0.574092D+01  0.668242D+01  0.622277D+01 -0.243144D+02
      4  -0.243735D+02  0.889361D+01 -0.229788D+02 -0.883563D+01  0.138506D+02
      5   0.771292D+01 -0.638912D+01  0.245698D+02  0.130178D+02 -0.278333D+01
      6  -0.122130D+02  0.282585D+01  0.116414D+02  0.960898D+01  0.240730D+01
                76            77            78            79            80 
      1  -0.130586D+02 -0.879439D+01  0.125282D+02  0.123540D+02  0.697413D+01
      2   0.952090D+01  0.203914D+01 -0.133206D+02  0.398353D+01 -0.613291D+01
      3   0.353769D+01  0.675525D+01  0.792464D+00 -0.163375D+02 -0.841223D+00
      4  -0.726855D+01  0.216001D+02 -0.917159D+01  0.896185D+01 -0.430558D+01
      5   0.157250D+02 -0.158377D+02 -0.553879D+01  0.915463D+00 -0.527804D+01
      6   0.873581D+00 -0.115619D+02  0.278914D+01  0.383465D+01 -0.108559D+01
                81            82            83            84            85 
      1   0.141068D+02  0.502105D+01 -0.122027D+02  0.456271D+01 -0.890088D+01
      2  -0.300562D+01 -0.719211D+01  0.183798D+02 -0.120078D+02  0.114785D+02
      3  -0.111012D+02  0.217106D+01 -0.617712D+01  0.744507D+01 -0.257764D+01
      4  -0.108322D+01 -0.533530D+01 -0.494452D+01 -0.117752D+02 -0.714718D-01
      5   0.370796D+00 -0.629010D+01 -0.125926D+02 -0.107937D+02 -0.124409D+02
      6   0.376952D+01 -0.608420D+01 -0.137207D+02 -0.130462D+02 -0.946488D+01
                86            87            88            89            90 
      1   0.475179D+01 -0.340624D+01  0.874575D+01 -0.399132D+01 -0.122005D+02
      2  -0.266329D+01 -0.290728D+00 -0.171464D+02 -0.334700D+01  0.841553D+01
      3  -0.208850D+01  0.369697D+01  0.840067D+01  0.733832D+01  0.378492D+01
      4   0.504674D+01 -0.103746D+02 -0.115171D+02 -0.159685D+02 -0.818957D+01
      5  -0.501674D+01  0.124512D+01 -0.137018D+02 -0.254859D+01  0.250874D+01
      6  -0.197093D+01 -0.194558D+01 -0.136392D+02 -0.130186D+01  0.708473D+00
                91            92            93            94            95 
      1  -0.598312D+02 -0.288896D+02 -0.138955D+02 -0.124070D+02  0.202390D+02
      2   0.252800D+02  0.237319D+02  0.110228D+02  0.137310D+02 -0.800670D+01
      3   0.345512D+02  0.515775D+01  0.287271D+01 -0.132405D+01 -0.122323D+02
      4  -0.247409D+02  0.168322D+02 -0.619772D+01  0.198442D+02  0.134326D+02
      5  -0.123633D+02 -0.319181D+01  0.118254D+02 -0.359708D+01 -0.104725D+02
      6  -0.559644D+01  0.126409D+01  0.616720D+01 -0.128076D+01 -0.103006D+02
                96            97            98            99           100 
      1   0.260850D+01 -0.223649D+02  0.235607D+00  0.182508D+02  0.475752D+02
      2  -0.773191D+01  0.111067D+02 -0.116577D+02 -0.355172D+01 -0.248969D+02
      3   0.512341D+01  0.112582D+02  0.114220D+02 -0.146991D+02 -0.226783D+02
      4  -0.868107D+01 -0.821348D+01 -0.857510D+01 -0.104739D+02  0.345689D+02
      5  -0.559210D+01  0.311040D+01 -0.123605D+02  0.289486D+02 -0.338225D+02
      6  -0.818012D+00  0.132964D+01 -0.734861D+01  0.136642D+02 -0.135096D+02
               101           102           103           104           105 
      1   0.112782D+02 -0.143839D+02  0.901099D+01  0.589795D+01 -0.244150D+01
      2  -0.267577D+01  0.972431D+01 -0.129548D+01  0.238187D+01  0.150045D+01
      3  -0.860240D+01  0.465960D+01 -0.771551D+01 -0.827982D+01  0.941050D+00
      4   0.217458D+02 -0.142986D+02  0.182716D+02  0.130355D+02 -0.724686D+01
      5  -0.122642D+02  0.204741D+02 -0.892587D+01 -0.710130D+01  0.602532D+01
      6  -0.913671D+01  0.854908D+01 -0.762263D+01 -0.501315D+01  0.564159D+01
               106           107           108           109           110 
      1  -0.100657D+02 -0.239218D+01  0.402879D+01 -0.481582D+01  0.536805D+01
      2   0.736925D+01  0.276045D+01 -0.662136D+01 -0.172034D+01 -0.341723D+01
      3   0.269640D+01 -0.368264D+00  0.259257D+01  0.653617D+01 -0.195083D+01
      4  -0.910417D+01 -0.519422D+01  0.891719D+01 -0.354253D+00 -0.116703D+01
      5   0.165517D+02  0.732299D+01 -0.140883D+02 -0.652509D+00 -0.119135D+01
      6   0.692901D+01  0.496528D+01 -0.762948D+01 -0.432893D+01  0.323431D+01
               111           112           113           114           115 
      1  -0.150440D+02  0.196929D+01 -0.436318D+01  0.437201D+00 -0.104610D+02
      2  -0.242294D+01 -0.157468D+01  0.922798D+00 -0.130021D+01  0.123924D+01
      3   0.174669D+02 -0.394612D+00  0.344038D+01  0.863007D+00  0.922176D+01
      4  -0.286579D+01  0.158991D+01 -0.145405D+01 -0.784843D+00 -0.278484D+01
      5  -0.220134D+01 -0.149206D+01  0.615934D+00  0.555159D+00  0.223122D+01
      6  -0.755258D+01  0.166838D+01 -0.189562D+01  0.692271D+01 -0.182673D+01
               116           117           118           119           120 
      1   0.475889D+01 -0.254448D+02 -0.349476D+01  0.384155D+00 -0.174731D+01
      2  -0.114463D+01 -0.909467D+01 -0.584624D+01  0.249154D+00 -0.492694D+01
      3  -0.361426D+01  0.345394D+02  0.934100D+01 -0.633309D+00  0.667425D+01
      4  -0.396249D+01  0.159258D+01 -0.341903D+00  0.377481D+01 -0.703714D+00
      5   0.343196D+01 -0.142329D+02  0.840150D+01 -0.195206D+01  0.129540D+02
      6   0.730660D+01 -0.159097D+02 -0.403554D+00  0.837505D+00  0.157135D+00
               121           122           123           124           125 
      1   0.669168D+01 -0.516482D+01  0.380380D+01 -0.837169D+01  0.139929D+01
      2  -0.259046D+01 -0.111876D-01  0.305414D+01 -0.731616D+01  0.348333D+01
      3  -0.410122D+01  0.517601D+01 -0.685793D+01  0.156879D+02 -0.488262D+01
      4   0.277548D+01 -0.108003D+01  0.322502D+01  0.999531D+00  0.289011D+01
      5  -0.258190D+01  0.380993D+01 -0.319322D+01  0.181890D+02 -0.345143D+01
      6   0.142577D+01 -0.125572D+01  0.738075D+01  0.579138D+00  0.548833D+01
               126           127           128           129           130 
      1  -0.281387D+02 -0.765979D+01  0.169296D+02  0.280380D+00  0.924269D+01
      2  -0.208891D+02  0.109184D+02 -0.237732D+02  0.790514D+00 -0.130177D+02
      3   0.490278D+02 -0.325865D+01  0.684365D+01 -0.107089D+01  0.377501D+01
      4  -0.208896D+01 -0.670125D+01  0.370258D+01  0.162182D+01  0.611309D+01
      5   0.250586D+02 -0.440078D+00  0.142297D+01  0.132997D+01  0.179013D+01
      6  -0.212491D+00 -0.517227D-02  0.471244D+00 -0.250425D+01  0.512911D+00
               131           132           133           134           135 
      1  -0.250272D+02 -0.383665D+00 -0.214014D+01  0.378332D+01 -0.369465D+01
      2   0.376273D+02  0.560514D+00  0.299732D+01 -0.466916D+01  0.379254D+01
      3  -0.126001D+02 -0.176849D+00 -0.857181D+00  0.885842D+00 -0.978890D-01
      4  -0.314666D+00  0.116953D+01  0.300052D+00  0.592199D+00  0.574673D+00
      5   0.302115D+00  0.713123D+00  0.258823D+01  0.117960D+01 -0.722182D+00
      6   0.639985D+00  0.587005D+01 -0.759590D+00  0.688076D+01 -0.169819D+01
               136           137           138           139           140 
      1   0.818349D+01  0.581515D+00  0.158715D+01  0.149474D+01 -0.640354D+01
      2   0.214191D+01  0.700041D+01  0.234678D+01  0.452270D+01  0.155502D+02
      3  -0.103254D+02 -0.758193D+01 -0.393393D+01 -0.601744D+01 -0.914663D+01
      4   0.216277D+02  0.201635D+02  0.119635D+02  0.154370D+02  0.188766D+02
      5   0.130317D+02  0.980316D+01  0.126846D+02  0.696907D+01  0.969469D+01
      6   0.104546D+02  0.106442D+02  0.112451D+02  0.783900D+01  0.134867D+02
               141           142           143           144           145 
      1  -0.339981D+01  0.475538D+00 -0.568065D+01 -0.344423D+01 -0.309539D+01
      2   0.698558D+01  0.263490D+01  0.899313D+01  0.171780D+01  0.421661D+01
      3  -0.358577D+01 -0.311044D+01 -0.331249D+01  0.172644D+01 -0.112122D+01
      4   0.107557D+02  0.128711D+02  0.144478D+02  0.135465D+02 -0.125119D+01
      5   0.750439D+01  0.121923D+02  0.106560D+02  0.144996D+02  0.141971D+00
      6   0.105583D+02  0.113013D+02  0.145529D+02  0.164635D+02  0.177359D-01
               146           147           148           149           150 
      1  -0.527433D+01  0.920334D+00 -0.335172D+01 -0.244821D+02  0.426914D+01
      2   0.650959D+01 -0.158627D+01  0.299060D+01  0.472353D+02 -0.115562D+02
      3  -0.123525D+01  0.665936D+00  0.361116D+00 -0.227533D+02  0.728702D+01
      4   0.570849D+01  0.465649D+00  0.649140D+01 -0.194228D+02  0.316588D+01
      5   0.183789D+01  0.241071D+01  0.159504D+01  0.531822D+01 -0.477722D+01
      6  -0.111444D+01 -0.452903D-01 -0.107547D+01 -0.147610D+01  0.786578D+01
               151           152           153           154           155 
      1   0.259330D+01  0.115173D+02 -0.419436D+01 -0.974413D+01 -0.528549D+01
      2  -0.153142D+01 -0.216205D+02  0.778125D+01 -0.206409D+01  0.603759D+01
      3  -0.106188D+01  0.101033D+02 -0.358689D+01  0.118082D+02 -0.752101D+00
      4  -0.199808D+01  0.965103D+01 -0.496014D+01  0.133321D+02 -0.523276D+00
      5   0.213313D+01 -0.559707D+01  0.347476D+01  0.597589D+01  0.413257D+00
      6  -0.698044D+00  0.731414D+01 -0.683125D+01  0.491997D+01  0.382230D+01
               156           157           158           159           160 
      1  -0.111731D+02  0.477332D+00 -0.206746D+01  0.336631D+01 -0.896740D+01
      2  -0.506365D+00  0.210511D+01  0.214862D+01 -0.541715D+00 -0.572772D+00
      3   0.116794D+02 -0.258244D+01 -0.811603D-01 -0.282459D+01  0.954017D+01
      4   0.624103D+01 -0.357031D+00  0.171317D+01  0.520779D+00  0.757439D+01
      5   0.339582D+01  0.357973D+00  0.198060D+01  0.587589D+00  0.530524D+01
      6   0.592339D+01  0.211548D+01 -0.145826D+01  0.137354D+01  0.315817D+01
               161           162           163           164           165 
      1   0.248704D-01 -0.100478D+02  0.103624D+02  0.514110D+00 -0.209521D+01
      2  -0.831952D+00 -0.258927D+01 -0.102876D+02 -0.174296D+01  0.731231D+01
      3   0.807082D+00  0.126371D+02 -0.747746D-01  0.122885D+01 -0.521709D+01
      4   0.303040D+00  0.253691D+01 -0.182302D+02  0.152319D+02  0.150444D+02
      5  -0.168538D+01 -0.802696D-01 -0.234617D+02  0.120075D+02  0.225385D+02
      6   0.391746D+01  0.661436D+01  0.127515D+02 -0.115221D+02 -0.137264D+02
               166           167           168           169           170 
      1   0.762847D+00 -0.318765D+01 -0.181426D+01 -0.384276D+01 -0.341017D+01
      2  -0.193193D+01  0.572772D+01  0.885909D+00  0.841178D+01 -0.820497D+00
      3   0.116908D+01 -0.254007D+01  0.928355D+00 -0.456903D+01  0.423067D+01
      4   0.940602D+01 -0.106217D+02 -0.779467D+01  0.149389D+02 -0.113112D+02
      5   0.554764D+01 -0.731202D+01 -0.600864D+01  0.218227D+02 -0.129816D+02
      6  -0.737092D+01  0.779056D+01  0.958375D+01 -0.127213D+02  0.140970D+02
               171           172           173           174           175 
      1  -0.634599D+01  0.680930D+02 -0.135075D+02 -0.199222D+02 -0.126287D+02
      2  -0.983172D+01 -0.322686D+02  0.384512D+01  0.880275D+01  0.257142D+01
      3   0.161777D+02 -0.358244D+02  0.966241D+01  0.111194D+02  0.100573D+02
      4  -0.155472D+02 -0.230791D+02  0.145728D+02  0.840497D+01  0.191324D+02
      5  -0.276130D+02 -0.206767D+02  0.642211D+01  0.161530D+02  0.555387D+01
      6   0.210854D+02  0.478299D+01 -0.133194D+01 -0.318955D+01 -0.153378D+01
               176           177           178           179           180 
      1   0.964748D+01  0.553070D+01 -0.437688D+02  0.107842D+02  0.158691D+02
      2  -0.237504D+01 -0.179299D+01  0.209015D+02 -0.390404D+01 -0.913609D+01
      3  -0.727244D+01 -0.373772D+01  0.228673D+02 -0.688017D+01 -0.673302D+01
      4  -0.117174D+02 -0.324444D+01  0.176744D+02 -0.100033D+02 -0.832200D+01
      5  -0.229260D+01 -0.481080D+01  0.240443D+02 -0.744150D+01 -0.204103D+02
      6   0.732813D+00  0.414657D+01 -0.504762D+01  0.441588D+01  0.484563D+01
               181           182           183           184           185 
      1   0.212563D+02  0.103583D+02  0.770947D+01  0.233793D+02  0.858600D+01
      2  -0.131677D+02 -0.707302D+01 -0.677954D+01 -0.148717D+02 -0.588169D+01
      3  -0.808852D+01 -0.328524D+01 -0.929938D+00 -0.850752D+01 -0.270430D+01
      4   0.994844D+01  0.983532D+01  0.788388D+01  0.141640D+02  0.227484D+02
      5   0.107623D+02  0.923023D+01  0.121036D+02  0.159206D+02  0.149399D+02
      6   0.307415D+01  0.148094D+01  0.105950D+01  0.242072D+01  0.483742D+01
               186           187           188           189           190 
      1   0.108049D+02  0.105800D+02  0.733546D+01  0.940666D+01  0.119470D+01
      2  -0.104780D+02 -0.100641D+02 -0.803609D+01 -0.121538D+02  0.385239D-01
      3  -0.326896D+00 -0.515896D+00  0.700629D+00  0.274717D+01 -0.123322D+01
      4   0.143529D+02  0.859959D+01  0.134736D+02  0.870131D+01 -0.392816D+01
      5   0.160952D+02  0.187345D+02  0.102348D+02  0.216338D+02  0.214307D+00
      6   0.475106D+01  0.106601D+01  0.567656D+01  0.237051D+01 -0.194054D+01
               191           192           193           194           195 
      1  -0.699271D+01  0.288190D+01 -0.974567D+01 -0.821840D+01  0.768901D+01
      2   0.428533D+01 -0.110437D+01  0.275814D+01  0.136774D+02 -0.533245D+01
      3   0.270739D+01 -0.177753D+01  0.698753D+01 -0.545904D+01 -0.235656D+01
      4   0.236809D+01  0.307225D+00  0.155345D+02 -0.332894D+02  0.203951D+02
      5  -0.230205D-01  0.193727D+01 -0.721802D+01  0.200876D+02 -0.178053D+02
      6  -0.133959D+01  0.997009D+00  0.476976D+01 -0.178091D+02  0.148275D+02
               196           197           198           199           200 
      1   0.372652D+01  0.845950D+01 -0.485396D+01  0.260657D+00  0.190302D+01
      2  -0.271247D+01 -0.543803D+01 -0.161022D+01 -0.114171D+01 -0.111272D+00
      3  -0.101404D+01 -0.302146D+01  0.646418D+01  0.881052D+00 -0.179175D+01
      4  -0.609021D+01  0.207051D+02 -0.167934D+02  0.404786D+01  0.548967D+01
      5   0.122486D+02 -0.168964D+02  0.228175D+02 -0.168441D+01 -0.228733D+01
      6  -0.409601D+01  0.147715D+02 -0.147943D+02 -0.227789D+01 -0.988690D+00
               201           202           203           204           205 
      1  -0.139129D+01  0.240789D+01 -0.120431D+02  0.658633D+01 -0.804392D+00
      2   0.538754D+00 -0.162350D+00  0.105002D+02 -0.211465D+01  0.356342D+01
      3   0.852531D+00 -0.224554D+01  0.154292D+01 -0.447168D+01 -0.275902D+01
      4  -0.123735D+01  0.468955D+01  0.821166D+01 -0.345555D+01 -0.689972D+00
      5   0.182174D+01 -0.271163D+01 -0.502651D+01  0.319959D+01  0.200085D+01
      6   0.657309D+00 -0.114139D+01 -0.112968D+02  0.693231D+01  0.205127D+01
               206           207           208           209           210 
      1   0.540760D+01 -0.223840D+01 -0.162708D+01 -0.156705D+01  0.631889D+00
      2  -0.234350D+01  0.813367D+00  0.300488D+01  0.803801D+00 -0.281203D+00
      3  -0.306410D+01  0.142503D+01 -0.137781D+01  0.763245D+00 -0.350686D+00
      4  -0.162127D+01  0.900023D+00 -0.970276D+00  0.516999D+01 -0.124568D+01
      5   0.227193D+01 -0.851810D+00  0.951676D+00 -0.699013D+00  0.677796D+00
      6   0.539841D+01 -0.441025D+01 -0.746980D+00  0.103872D+01 -0.422553D-01
               211           212           213           214           215 
      1  -0.531959D+01 -0.196225D+02  0.452890D+01  0.286164D+01  0.630772D+01
      2   0.284568D+01  0.247578D+02 -0.429863D+01 -0.465897D+00 -0.632417D+01
      3   0.247390D+01 -0.513536D+01 -0.230268D+00 -0.239575D+01  0.164480D-01
      4   0.295726D+01 -0.175997D+02  0.401139D+01 -0.172113D+01  0.605572D+01
      5  -0.790327D+00  0.317389D+01 -0.249769D+01 -0.487038D+00 -0.273742D+01
      6   0.863527D+00 -0.344803D+01  0.484916D+01  0.138949D+01  0.452743D+01
               216           217           218           219           220 
      1  -0.498464D+01  0.597809D+01  0.550251D+01 -0.628524D+01  0.402274D+01
      2   0.373012D+01 -0.456383D+01 -0.424770D+01  0.204484D+01 -0.187274D+01
      3   0.125453D+01 -0.141426D+01 -0.125481D+01  0.424039D+01 -0.215000D+01
      4  -0.330598D+01  0.217911D+01 -0.303326D+01 -0.882454D+00  0.253839D+01
      5   0.224296D+01 -0.351535D+01  0.515900D+00  0.334177D+00  0.401970D-01
      6  -0.343756D+01 -0.205077D+01  0.976440D+00 -0.214410D+01 -0.112550D+01
               221           222           223           224           225 
      1  -0.693626D+01  0.396223D+01 -0.897529D+01  0.357073D+01 -0.164680D+02
      2   0.499913D+01 -0.320295D+01  0.579119D+01 -0.118094D+01 -0.798967D+01
      3   0.193714D+01 -0.759275D+00  0.318410D+01 -0.238979D+01  0.244577D+02
      4   0.639141D+01 -0.567844D+01 -0.100927D+02 -0.143001D+02  0.127112D+02
      5  -0.602439D+01  0.607286D+01  0.116978D+02  0.145856D+02 -0.473361D+02
      6  -0.436306D+01  0.842514D+01  0.424662D+01  0.118842D+02 -0.230958D+02
               226           227           228           229           230 
      1   0.878665D+02  0.203863D+02  0.580966D+01  0.837700D+01  0.813515D+01
      2  -0.397470D+02 -0.589302D+01 -0.227470D+01 -0.249431D-01 -0.424967D+00
      3  -0.481195D+02 -0.144933D+02 -0.353496D+01 -0.835206D+01 -0.771018D+01
      4   0.423022D+02  0.215951D+02  0.318519D+01  0.154909D+02  0.993757D+01
      5   0.144274D+01  0.739501D+00  0.117410D+02  0.774284D+00  0.192550D+01
      6   0.268663D+01  0.362703D+00  0.397851D+01 -0.206618D+00  0.118300D+01
               231           232           233           234           235 
      1   0.403973D+00  0.132633D+02  0.293646D+01  0.785662D+01 -0.530979D+01
      2   0.101942D+01 -0.616206D+01  0.316653D+00 -0.489957D+01  0.586293D+01
      3  -0.142339D+01 -0.710123D+01 -0.325312D+01 -0.295706D+01 -0.553144D+00
      4   0.247154D+01  0.744245D+01  0.546931D+01  0.625893D+01 -0.690684D+00
      5   0.200215D+01  0.121045D+02  0.474667D+01  0.190073D+01  0.456444D+01
      6   0.188428D+01  0.414074D+01  0.286625D+01  0.619801D+00  0.315645D+01
               236           237           238           239           240 
      1   0.157336D+02  0.775320D+01  0.160292D+02 -0.229513D+02 -0.757261D+01
      2  -0.165482D+02 -0.595131D+01 -0.103854D+02  0.305371D+02  0.926660D+01
      3   0.814594D+00 -0.180189D+01 -0.564382D+01 -0.758580D+01 -0.169399D+01
      4  -0.999178D+01  0.245750D+00  0.319810D+01  0.232705D+02  0.579771D+01
      5  -0.161733D+01 -0.481696D+01 -0.291857D+01  0.725113D+01  0.855307D+01
      6  -0.345762D+01 -0.458436D+01 -0.192213D+01  0.747397D+01  0.729357D+01
               241           242           243 
      1   0.923278D+01 -0.895682D+01 -0.110851D+02
      2  -0.473880D+01  0.120937D+02  0.748788D+01
      3  -0.449398D+01 -0.313691D+01  0.359726D+01
      4   0.339392D+01  0.118147D+02  0.748568D+01
      5  -0.379535D+00  0.946965D+01  0.454616D+01
      6  -0.147597D+01  0.100035D+02  0.588304D+01
 Leave Link  716 at Thu Aug 12 21:05:04 2021, MaxMem=  5368709120 cpu:               0.4 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.169697D+03 -0.573224D+01  0.780514D+01
      2  -0.573224D+01  0.119124D+03 -0.428388D+01
      3   0.780514D+01 -0.428388D+01  0.102844D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1   0.451925D+01 -0.344651D+01 -0.879038D+01
      2   0.492046D+02 -0.170912D+02 -0.294860D+02
      3  -0.349261D+01  0.192924D+02  0.140191D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.596731D+02 -0.156710D+02  0.415860D+02
      2  -0.164538D+02  0.183052D+02 -0.140087D+02
      3  -0.432193D+02 -0.263420D+01 -0.275773D+02
      4   0.832292D+01 -0.345345D+02 -0.386919D+02
      5   0.333086D+02 -0.388649D+02 -0.767763D+02
      6  -0.170128D+02  0.227432D+01  0.240627D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    81 ND12= 1 LenFil=    2919:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.107093D+01 -0.368371D+00 -0.474109D+01  0.922785D+00  0.681072D+00
      2  -0.368371D+00  0.619078D+00  0.261192D+01  0.681072D+00 -0.347864D+01
      3  -0.474109D+01  0.261192D+01  0.161083D+01  0.245762D+01  0.319261D+01
                 6             7             8             9            10 
      1   0.245762D+01 -0.604356D+01  0.279914D+01  0.185105D+01 -0.213739D+02
      2   0.319261D+01  0.279914D+01  0.343314D+01 -0.194248D+01  0.268688D+01
      3  -0.794058D+00  0.185105D+01 -0.194248D+01 -0.238375D+01  0.531747D+01
                11            12            13            14            15 
      1   0.268688D+01  0.531747D+01  0.122703D+02 -0.328955D+01 -0.288763D+01
      2  -0.218095D+01 -0.235570D+01 -0.328955D+01  0.418423D+01 -0.352783D+01
      3  -0.235570D+01 -0.117838D+01 -0.288763D+01 -0.352783D+01  0.192275D+01
                16            17            18            19            20 
      1   0.226741D+02 -0.386700D+01 -0.379193D+01  0.400080D+02 -0.407434D+01
      2  -0.386700D+01 -0.277219D+01  0.183602D+01 -0.407434D+01  0.286138D+01
      3  -0.379193D+01  0.183602D+01  0.625637D+00 -0.560860D+00  0.976364D+00
                21            22            23            24            25 
      1  -0.560860D+00 -0.155706D+02  0.366471D+01  0.182309D+01 -0.683344D+01
      2   0.976364D+00  0.366471D+01  0.152049D+01 -0.178935D+01  0.244798D+01
      3   0.224604D+01  0.182309D+01 -0.178935D+01 -0.250794D+01  0.617662D+01
                26            27            28            29            30 
      1   0.244798D+01  0.617662D+01 -0.540493D+02  0.490488D+01 -0.483540D+01
      2  -0.261675D+01 -0.261550D+01  0.490488D+01 -0.219730D+01 -0.215923D-02
      3  -0.261550D+01  0.525631D+01 -0.483540D+01 -0.215923D-02 -0.199908D+01
                31            32            33            34            35 
      1   0.152781D+02 -0.521577D+01  0.116713D+01 -0.172714D+02 -0.134291D+00
      2  -0.521577D+01 -0.161453D+01  0.127023D+01 -0.134291D+00  0.152263D+01
      3   0.116713D+01  0.127023D+01  0.888369D+00 -0.680322D+01  0.737166D+00
                36            37            38            39            40 
      1  -0.680322D+01  0.510387D+02 -0.659944D+01  0.730922D+01 -0.106591D+02
      2   0.737166D+00 -0.659944D+01  0.126298D+01 -0.448221D+00  0.399141D+01
      3  -0.511355D+01  0.730922D+01 -0.448221D+00  0.264251D+01 -0.672298D+00
                41            42            43            44            45 
      1   0.399141D+01 -0.672298D+00  0.172454D+02 -0.110565D+01  0.578988D+01
      2   0.230635D+01 -0.204754D+01 -0.110565D+01 -0.226504D+01 -0.871656D+00
      3  -0.204754D+01 -0.118777D+01  0.578988D+01 -0.871656D+00  0.280699D+01
                46            47            48            49            50 
      1  -0.385034D+02  0.668431D+01 -0.797179D+01  0.967152D+01 -0.336296D+01
      2   0.668431D+01 -0.193880D+01  0.222389D+01 -0.336296D+01 -0.198875D+01
      3  -0.797179D+01  0.222389D+01 -0.188958D+01  0.364546D+01  0.296285D+00
                51            52            53            54            55 
      1   0.364546D+01 -0.135654D+02  0.333312D+01 -0.280553D+01  0.334097D+02
      2   0.296285D+00  0.333312D+01  0.452684D+00  0.885159D+00 -0.620714D+01
      3   0.118319D+01 -0.280553D+01  0.885159D+00 -0.125275D+01  0.631191D+01
                56            57            58            59            60 
      1  -0.620714D+01  0.631191D+01 -0.232760D+02  0.673665D+01 -0.456313D+01
      2   0.296778D+01 -0.145108D+01  0.673665D+01 -0.509135D+01  0.206047D+01
      3  -0.145108D+01  0.257899D+01 -0.456313D+01  0.206047D+01 -0.215068D+01
                61            62            63            64            65 
      1   0.154797D+02 -0.217623D+01  0.701762D+01  0.383540D+01 -0.438998D+00
      2  -0.217623D+01  0.114504D+01 -0.269347D+01 -0.438998D+00  0.129896D+01
      3   0.701762D+01 -0.269347D+01  0.473262D+01 -0.445301D+01  0.267518D+01
                66            67            68            69            70 
      1  -0.445301D+01 -0.316052D+00  0.256780D+01  0.245983D+01 -0.821250D+01
      2   0.267518D+01  0.256780D+01 -0.129259D+01  0.473461D+01  0.261747D+01
      3   0.842249D+00  0.245983D+01  0.473461D+01 -0.999729D+00  0.303117D+01
                71            72            73            74            75 
      1   0.261747D+01  0.303117D+01  0.687807D+01  0.216208D+01 -0.365885D+01
      2   0.431824D+01 -0.154783D+01  0.216208D+01  0.494567D+00 -0.175738D+01
      3  -0.154783D+01  0.124821D+01 -0.365885D+01 -0.175738D+01 -0.201397D+01
                76            77            78            79            80 
      1   0.354115D+01  0.326683D+00 -0.211237D+01 -0.493439D+01 -0.101594D+01
      2   0.326683D+00 -0.504613D+01  0.317094D+01 -0.101594D+01  0.294977D+01
      3  -0.211237D+01  0.317094D+01  0.792321D+00 -0.202306D+01  0.139559D+01
                81            82            83            84            85 
      1  -0.202306D+01  0.632309D+00  0.154389D+01  0.975293D+00  0.523663D+00
      2   0.139559D+01  0.154389D+01 -0.248068D+01  0.268850D+01 -0.251843D+01
      3  -0.157197D+01  0.975293D+00  0.268850D+01  0.269080D+01  0.229142D+01
                86            87            88            89            90 
      1  -0.251843D+01  0.229142D+01 -0.625494D+00  0.361890D+01  0.270965D+01
      2   0.593015D+00  0.161355D+01  0.361890D+01  0.160188D+01 -0.718102D+00
      3   0.161355D+01 -0.465633D+00  0.270965D+01 -0.718102D+00 -0.133629D+01
                91            92            93            94            95 
      1  -0.897050D+01 -0.199917D+01 -0.218757D+01  0.221964D+00  0.355914D+01
      2  -0.199917D+01  0.362644D+01 -0.240588D+00  0.355914D+01  0.576665D+00
      3  -0.218757D+01 -0.240588D+00  0.159840D+01 -0.308136D+00 -0.155264D+01
                96            97            98            99           100 
      1  -0.308136D+00 -0.341262D+01 -0.441028D+00  0.270503D+00 -0.875530D+01
      2  -0.155264D+01 -0.441028D+00 -0.162281D+01 -0.212365D+01 -0.293414D+01
      3  -0.131970D+01  0.270503D+00 -0.212365D+01  0.446478D+01  0.360306D+01
               101           102           103           104           105 
      1  -0.293414D+01  0.360306D+01 -0.139137D+01 -0.199740D+01  0.982729D+00
      2  -0.239797D+01  0.135500D+01 -0.199740D+01 -0.140329D+01  0.758939D+00
      3   0.135500D+01 -0.223535D+01  0.982729D+00  0.758939D+00 -0.796623D+00
               106           107           108           109           110 
      1   0.993424D+00  0.909691D+00 -0.169215D+01  0.173398D+01 -0.389439D+00
      2   0.909691D+00  0.448491D+00 -0.101141D+01 -0.389439D+00  0.970209D+00
      3  -0.169215D+01 -0.101141D+01  0.201658D+01  0.152352D+01 -0.170632D+00
               111           112           113           114           115 
      1   0.152352D+01  0.436674D+00  0.149011D+00  0.132894D+00  0.809591D+00
      2  -0.170632D+00  0.149011D+00 -0.260100D-01  0.549255D+00 -0.469229D-01
      3   0.304955D+01  0.132894D+00  0.549255D+00 -0.274645D+00  0.130050D+01
               116           117           118           119           120 
      1  -0.469229D-01  0.130050D+01 -0.597404D+01  0.969980D+00 -0.187314D+01
      2   0.121814D+01 -0.104166D+01  0.969980D+00 -0.513123D+00  0.173694D+00
      3  -0.104166D+01  0.637318D+01 -0.187314D+01  0.173694D+00 -0.194385D+01
               121           122           123           124           125 
      1   0.562754D+01 -0.950453D+00  0.425920D+00 -0.290648D+01 -0.117807D+00
      2  -0.950453D+00  0.430584D+00 -0.118598D+01 -0.117807D+00 -0.956982D+00
      3   0.425920D+00 -0.118598D+01  0.144913D+01 -0.370939D+01  0.114336D+01
               126           127           128           129           130 
      1  -0.370939D+01  0.302617D+01 -0.167392D+01 -0.360835D+00 -0.908848D+00
      2   0.114336D+01 -0.167392D+01  0.361720D+01 -0.876676D-01  0.185977D+01
      3  -0.912868D+01 -0.360835D+00 -0.876676D-01  0.404301D+00 -0.194862D+00
               131           132           133           134           135 
      1   0.185977D+01 -0.194862D+00  0.504947D+00 -0.471040D+00 -0.223334D-02
      2  -0.563268D+01 -0.241364D+00 -0.471040D+00  0.741857D+00 -0.865367D+00
      3  -0.241364D+00 -0.702443D+00 -0.223334D-02 -0.865367D+00  0.267940D+00
               136           137           138           139           140 
      1  -0.392233D+01 -0.247320D+01 -0.172903D+01 -0.150511D+01 -0.181909D+01
      2  -0.247320D+01 -0.252198D+01 -0.166805D+01 -0.181909D+01 -0.340325D+01
      3  -0.172903D+01 -0.166805D+01 -0.217351D+01 -0.117773D+01 -0.194487D+01
               141           142           143           144           145 
      1  -0.117773D+01 -0.216991D+01 -0.187747D+01 -0.193105D+01  0.521273D+00
      2  -0.194487D+01 -0.187747D+01 -0.270771D+01 -0.208699D+01  0.102285D+01
      3  -0.150490D+01 -0.193105D+01 -0.208699D+01 -0.289108D+01  0.666289D-01
               146           147           148           149           150 
      1   0.102285D+01  0.666289D-01  0.691543D+00  0.224937D+00 -0.294101D+00
      2   0.570234D+00 -0.436677D+00  0.224937D+00  0.792742D+01 -0.160870D+01
      3  -0.436677D+00 -0.629694D-01 -0.294101D+00 -0.160870D+01  0.155087D+01
               151           152           153           154           155 
      1  -0.246380D+00 -0.315210D+00 -0.613467D-01  0.557486D+01 -0.241949D+00
      2  -0.315210D+00 -0.385932D+01  0.167025D+01 -0.241949D+00  0.140813D+01
      3  -0.613467D-01  0.167025D+01 -0.137790D+01  0.195407D+01  0.382644D+00
               156           157           158           159           160 
      1   0.195407D+01 -0.120037D+01  0.754259D+00 -0.169132D+00  0.154211D+01
      2   0.382644D+00  0.754259D+00 -0.136248D+00 -0.124934D+00  0.133605D+00
      3   0.202104D+01 -0.169132D+00 -0.124934D+00 -0.465667D+00  0.146363D+01
               161           162           163           164           165 
      1   0.133605D+00  0.146363D+01 -0.446816D+01  0.195410D+01  0.318815D+01
      2   0.228926D+00  0.476645D+00  0.195410D+01 -0.231280D+01 -0.189763D+01
      3   0.476645D+00  0.240847D+01  0.318815D+01 -0.189763D+01 -0.326706D+01
               166           167           168           169           170 
      1   0.427387D+00 -0.126688D+01 -0.951322D+00  0.261695D+01 -0.159700D+01
      2  -0.126688D+01  0.192571D+01  0.109377D+01 -0.159700D+01  0.169459D+01
      3  -0.951322D+00  0.109377D+01  0.105174D+01 -0.302350D+01  0.247719D+01
               171           172           173           174           175 
      1  -0.302350D+01 -0.770461D+01  0.202101D+01  0.243892D+01  0.205482D+01
      2   0.247719D+01  0.202101D+01 -0.130341D+01 -0.784521D+00 -0.199023D+01
      3   0.504506D+01  0.243892D+01 -0.784521D+00 -0.169443D+01 -0.689863D+00
               176           177           178           179           180 
      1  -0.199023D+01 -0.689863D+00  0.693264D+01 -0.179529D+01 -0.266722D+01
      2   0.131309D+01  0.186807D+00 -0.179529D+01  0.998321D+00  0.936282D+00
      3   0.186807D+00  0.636382D+00 -0.266722D+01  0.936282D+00  0.234006D+01
               181           182           183           184           185 
      1  -0.259155D+01 -0.140915D+01 -0.103867D+01 -0.322271D+01 -0.169653D+01
      2  -0.140915D+01 -0.105530D+01 -0.978164D+00 -0.169653D+01 -0.315248D+01
      3  -0.103867D+01 -0.978164D+00 -0.119657D+01 -0.181395D+01 -0.209047D+01
               186           187           188           189           190 
      1  -0.181395D+01 -0.148597D+01 -0.109737D+01 -0.210785D+01 -0.355235D+00
      2  -0.209047D+01 -0.109737D+01 -0.195726D+01 -0.128872D+01  0.653528D+00
      3  -0.206140D+01 -0.210785D+01 -0.128872D+01 -0.283879D+01 -0.149420D+00
               191           192           193           194           195 
      1   0.653528D+00 -0.149420D+00  0.189352D+01 -0.171191D+01  0.768120D+00
      2   0.356213D+00 -0.399262D+00 -0.171191D+01  0.531582D+01 -0.324761D+01
      3  -0.399262D+00  0.322279D+00  0.768120D+00 -0.324761D+01  0.277166D+01
               196           197           198           199           200 
      1  -0.607599D+00  0.664505D+00 -0.136397D+01 -0.175078D+00  0.139178D+01
      2   0.664505D+00 -0.323767D+01  0.275256D+01  0.139178D+01  0.914176D+00
      3  -0.136397D+01  0.275256D+01 -0.360955D+01 -0.754804D+00 -0.267796D+00
               201           202           203           204           205 
      1  -0.754804D+00  0.147144D+01  0.111733D+01 -0.454518D-01 -0.211761D+01
      2  -0.267796D+00  0.111733D+01  0.535518D+01 -0.190090D+01  0.319395D+00
      3  -0.791110D-01 -0.454518D-01 -0.190090D+01  0.144493D+01  0.812846D+00
               206           207           208           209           210 
      1   0.319395D+00  0.812846D+00  0.197436D+00 -0.111383D+01  0.430629D+00
      2  -0.165040D+01  0.105382D+01 -0.111383D+01 -0.927060D-01 -0.941564D-02
      3   0.105382D+01 -0.664827D+00  0.430629D+00 -0.941564D-02  0.128558D+00
               211           212           213           214           215 
      1  -0.222838D+01 -0.538478D+00 -0.815571D-01  0.778147D+00 -0.147845D+00
      2  -0.538478D+00 -0.623510D+01  0.151243D+01 -0.147845D+00  0.194930D+01
      3  -0.815571D-01  0.151243D+01 -0.120199D+01 -0.229988D+00 -0.106354D+01
               216           217           218           219           220 
      1  -0.229988D+00  0.135188D+01  0.219232D+00 -0.511019D+00  0.115472D+01
      2  -0.106354D+01  0.219232D+00 -0.885332D+00  0.186015D+00  0.126523D+00
      3   0.710028D+00 -0.511019D+00  0.186015D+00 -0.534361D+00  0.250152D-01
               221           222           223           224           225 
      1   0.126523D+00  0.250152D-01 -0.222920D+01 -0.104288D+01  0.992774D+00
      2   0.115247D+01 -0.957592D+00 -0.104288D+01 -0.213032D+01  0.213819D+01
      3  -0.957592D+00  0.985355D+00  0.992774D+00  0.213819D+01 -0.730915D+01
               226           227           228           229           230 
      1   0.102825D+02  0.286809D+01  0.683732D+00  0.139183D+01  0.111071D+01
      2   0.286809D+01  0.174735D+01  0.188785D+00  0.111071D+01  0.836926D+00
      3   0.683732D+00  0.188785D+00  0.116576D+01  0.166434D+00  0.345639D+00
               231           232           233           234           235 
      1   0.166434D+00  0.165554D+01  0.553495D+00  0.119111D+01 -0.576072D+00
      2   0.345639D+00  0.553495D+00  0.669609D+00  0.596371D+00  0.840472D+00
      3   0.272290D+00  0.119111D+01  0.596371D+00  0.121725D+00  0.102289D+01
               236           237           238           239           240 
      1   0.840472D+00  0.102289D+01  0.269955D+01 -0.512320D+00 -0.384124D+00
      2  -0.283433D+01 -0.507052D+00 -0.512320D+00  0.506310D+01  0.143423D+01
      3  -0.507052D+00 -0.103309D+01 -0.384124D+00  0.143423D+01  0.148420D+01
               241           242           243 
      1   0.142939D+01 -0.148334D+00 -0.394898D+00
      2  -0.148334D+00  0.240383D+01  0.177177D+01
      3  -0.394898D+00  0.177177D+01  0.106067D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.110323D+02 -0.528412D+01  0.415257D+00 -0.212716D+01 -0.132003D+02
      2   0.151744D+02 -0.285848D+01  0.545073D+01 -0.634040D+01 -0.465196D+01
      3  -0.665684D+01 -0.361566D+01 -0.577443D+01  0.517514D+01 -0.518930D+01
                 6             7             8             9            10 
      1   0.427680D+01 -0.990647D+00  0.125528D+02  0.317680D+01 -0.120088D+02
      2  -0.158944D+01 -0.330822D+00 -0.881901D+00  0.214394D+01 -0.376171D+02
      3   0.101290D+02 -0.474306D+01  0.122351D+02 -0.195532D+00  0.552668D+01
                11            12            13            14            15 
      1   0.361504D+01  0.193984D+01  0.176973D+01  0.592956D+01 -0.810069D+01
      2   0.852401D+01  0.631233D+01  0.221823D+02  0.651096D+01 -0.529861D+01
      3  -0.808562D+01 -0.373386D+01 -0.804744D+00  0.707061D+01 -0.120063D+02
                16            17            18            19            20 
      1   0.110988D+02  0.145915D+00 -0.122847D-01  0.123868D+02 -0.421618D+01
      2   0.208569D+02 -0.488829D+01 -0.506574D+01  0.407582D+02 -0.556644D+01
      3  -0.413193D+01 -0.131777D+02  0.307697D+01 -0.693293D+01 -0.140977D+01
                21            22            23            24            25 
      1  -0.301871D+01 -0.852091D+01 -0.552640D+01  0.224289D+00 -0.130090D+02
      2   0.115564D+01 -0.217869D+02  0.544196D+01  0.464773D+01 -0.210688D+02
      3   0.125134D+01  0.122085D+02 -0.979807D-01 -0.211649D+01 -0.654373D+00
                26            27            28            29            30 
      1   0.741289D+01  0.251711D+01 -0.126469D+02  0.141335D+01  0.105136D+01
      2   0.509363D+01  0.458402D+01 -0.380194D+02  0.182753D+01 -0.751687D+01
      3  -0.456706D+00 -0.261984D+01  0.822931D+01  0.366225D+01  0.313154D+01
                31            32            33            34            35 
      1   0.325251D+01  0.339819D+01 -0.271959D+01  0.324588D+01  0.211420D+01
      2   0.865815D+01 -0.311160D+01  0.152290D+01 -0.480575D+02  0.354381D+01
      3   0.191466D+02 -0.236504D+01  0.153365D+01  0.106089D+02  0.680478D+00
                36            37            38            39            40 
      1  -0.742421D+00  0.106821D+02 -0.148474D+01 -0.247489D+01 -0.948792D+01
      2  -0.115609D+02  0.432139D+02 -0.367216D+01  0.135023D+02 -0.551147D+01
      3   0.146767D+01  0.723646D+00 -0.687348D+01 -0.219380D+01  0.824543D+01
                41            42            43            44            45 
      1   0.497747D+00 -0.208501D+01 -0.470640D+01  0.143837D+01 -0.892065D+00
      2  -0.149418D+01  0.169143D+01  0.162725D+02  0.240932D+00  0.791351D+01
      3  -0.111956D+02  0.603937D+01 -0.784546D+01  0.421220D+01 -0.174937D+01
                46            47            48            49            50 
      1  -0.928730D+01 -0.110102D+01  0.876134D+01 -0.100118D+01  0.850957D+01
      2  -0.266120D+02  0.410124D+01 -0.194904D+02  0.345597D+01 -0.743112D+00
      3  -0.768333D+01  0.977748D+01  0.353606D+01  0.175299D+02  0.595676D+01
                51            52            53            54            55 
      1   0.269625D+01  0.229568D+01  0.137168D+02 -0.430235D+01  0.513265D+01
      2   0.422071D+01 -0.297569D+02 -0.890937D+00 -0.102362D+02  0.219413D+02
      3   0.126009D+01  0.124288D+01  0.548698D+01 -0.121725D+01  0.193081D+01
                56            57            58            59            60 
      1   0.163964D+01 -0.189196D+01 -0.214713D+01 -0.299485D+01 -0.431910D+01
      2  -0.412298D+01  0.193590D+02 -0.145298D+02  0.645077D+01 -0.124566D+02
      3  -0.172514D+02 -0.244779D+00 -0.557216D+01  0.162427D+02 -0.341521D+01
                61            62            63            64            65 
      1   0.375168D+01  0.694113D-01  0.259816D+01  0.395172D+01 -0.352465D+01
      2   0.185951D+02 -0.576664D+01  0.175706D+02  0.166087D+02 -0.100250D+02
      3  -0.115010D+01 -0.832745D+01  0.443219D+01  0.295162D+01  0.276484D+01
                66            67            68            69            70 
      1  -0.375978D+01 -0.508993D+01 -0.376233D+01 -0.431266D+01 -0.702089D+01
      2  -0.610628D+01 -0.887139D+01 -0.166115D+02  0.567097D+01 -0.210900D+02
      3   0.675029D+01  0.142327D+02 -0.311323D+01  0.216438D+02  0.592015D+01
                71            72            73            74            75 
      1   0.672705D+00 -0.601668D+00 -0.811813D+00 -0.346933D+01 -0.754909D+01
      2   0.860260D+01 -0.367090D+01  0.641916D+01 -0.175426D+01  0.132654D+02
      3   0.205032D+02 -0.345182D+01  0.554929D-02 -0.524085D+01 -0.228749D+00
                76            77            78            79            80 
      1   0.168551D+01 -0.304068D+01  0.553861D+01 -0.479599D+01  0.111600D+02
      2   0.397113D+01 -0.714166D+01  0.107240D+01  0.227200D+01 -0.940374D+00
      3   0.181719D+01 -0.129367D+02  0.113257D+02  0.464169D+00  0.111567D+02
                81            82            83            84            85 
      1   0.126355D+01  0.313555D+00  0.104543D+02  0.787904D+01  0.141867D+02
      2   0.793722D+01  0.670416D+00 -0.181657D+01 -0.556527D+00 -0.367806D+01
      3   0.833150D+01  0.311436D+01 -0.131687D+02  0.204680D+01 -0.439797D+01
                86            87            88            89            90 
      1   0.472131D+01 -0.724106D+01  0.555208D+01 -0.182381D+01 -0.401011D+01
      2  -0.344421D+01  0.185505D+01 -0.878522D+01  0.265977D+01  0.254635D+01
      3   0.731671D+01 -0.346640D+01  0.315911D+01 -0.710407D+01 -0.951384D+01
                91            92            93            94            95 
      1   0.306011D+01 -0.329464D+01 -0.515925D+01  0.580052D+00  0.332694D+01
      2  -0.107723D+02 -0.103244D+01  0.774307D+01 -0.960654D-01 -0.408159D+01
      3  -0.136150D+01 -0.209270D+02 -0.289994D+01 -0.867376D+01  0.370268D+01
                96            97            98            99           100 
      1  -0.127298D+01  0.523286D+01  0.104710D+02 -0.822583D+01  0.125664D+01
      2  -0.305300D+01 -0.474409D+01 -0.883389D+01  0.161676D+02  0.111324D+01
      3   0.579575D+01 -0.143600D+01  0.797623D+01  0.103694D+02  0.407445D+01
               101           102           103           104           105 
      1  -0.251172D+01 -0.212413D+01 -0.632325D+00 -0.721307D+00 -0.174573D+01
      2  -0.704726D+00  0.418759D+01  0.136247D+01 -0.986542D-01  0.117979D+01
      3  -0.535669D+01 -0.766468D+00 -0.667434D+00 -0.160340D+01 -0.110217D+00
               106           107           108           109           110 
      1  -0.923620D+00  0.423073D+00  0.160743D+01  0.105474D+01  0.256063D+01
      2  -0.198720D+01  0.120252D+01 -0.373056D+01 -0.657231D+01  0.114082D+01
      3  -0.106559D+01  0.606374D+00 -0.406552D+00 -0.352160D+01  0.137526D+01
               111           112           113           114           115 
      1   0.399264D+01  0.608643D+00  0.137541D+01 -0.759940D+00  0.206259D+01
      2  -0.846060D+01  0.705542D+00 -0.178574D+01  0.639499D-01 -0.864026D+01
      3  -0.274146D+01  0.148145D+01 -0.164866D-01  0.785465D+00 -0.266456D+01
               116           117           118           119           120 
      1   0.254179D+01  0.662661D+01 -0.583486D+00  0.110292D+01 -0.299194D+00
      2   0.207096D+01 -0.160534D+02 -0.580987D+01  0.107994D+01  0.836158D+00
      3   0.177730D+01 -0.459679D+01  0.142976D+01 -0.167774D+01  0.742765D+00
               121           122           123           124           125 
      1   0.286687D+01 -0.522495D+00  0.855628D+00  0.239738D+01  0.479108D+01
      2   0.628066D+01 -0.347730D+00 -0.940853D+00 -0.287621D+01 -0.839979D+00
      3   0.882786D+00  0.429161D-01 -0.104820D+01  0.635233D+00 -0.103340D+01
               126           127           128           129           130 
      1  -0.251616D+01  0.981788D+00 -0.240308D+01  0.226490D+01 -0.930707D+00
      2   0.414051D+01  0.298417D+00  0.102794D+00  0.357693D+00  0.966806D+00
      3   0.150753D+01 -0.152400D+02  0.836175D+01  0.654074D+00  0.100478D+02
               131           132           133           134           135 
      1   0.207886D+01 -0.365266D+01  0.781926D+00 -0.914403D+00  0.140057D+01
      2   0.273832D+00 -0.455039D+00 -0.101503D+01  0.851719D+00 -0.456445D+00
      3  -0.128247D+02 -0.176045D+00 -0.217187D+01  0.259504D+01 -0.150333D+01
               136           137           138           139           140 
      1  -0.275534D+01 -0.202495D+01 -0.513050D+01 -0.158906D+01 -0.231068D+01
      2  -0.137761D+01  0.902761D+00  0.312900D+01  0.430506D+00  0.128762D+01
      3   0.496700D+01 -0.775901D+00  0.134146D+01  0.257217D+01 -0.254543D+01
               141           142           143           144           145 
      1  -0.325792D+01 -0.359822D+01 -0.107393D+01 -0.596446D+01  0.977368D+00
      2   0.200899D+01 -0.707677D-01  0.184238D+01  0.295546D+01 -0.986615D+00
      3  -0.214157D+00  0.274721D+01 -0.790503D+00  0.135464D+01  0.386660D+01
               146           147           148           149           150 
      1   0.187751D+01 -0.972661D+00  0.100662D+01  0.122655D+02 -0.797411D+01
      2  -0.425053D+00  0.677092D+00 -0.577901D+00  0.604603D+00 -0.120743D+01
      3   0.206743D+01 -0.972722D+00  0.504654D+01  0.140211D+02 -0.323508D+01
               151           152           153           154           155 
      1  -0.355816D+00 -0.627421D+01  0.610947D+01 -0.458067D+01  0.265231D+01
      2  -0.573359D+00 -0.134119D+01  0.153854D+01 -0.146984D+02  0.549161D+00
      3  -0.307074D+01 -0.788658D+01  0.289181D+01  0.130853D+02 -0.698739D+00
               156           157           158           159           160 
      1  -0.361181D+01  0.171869D+01 -0.839200D+00 -0.248392D+00 -0.309042D+01
      2  -0.385417D+01  0.292470D+01 -0.121762D+01  0.786994D+00 -0.720189D+01
      3   0.451158D+01 -0.860425D-01  0.123853D+01 -0.723396D+00  0.405339D+01
               161           162           163           164           165 
      1   0.962169D+00 -0.343485D+01 -0.403924D+01 -0.482199D-01  0.486013D+01
      2  -0.654516D+00 -0.467226D+01 -0.495687D+00  0.198443D+01  0.393636D+01
      3  -0.894797D+00  0.372978D+01 -0.388927D+01 -0.298895D+01  0.167832D+01
               166           167           168           169           170 
      1   0.618283D+00  0.293926D+00 -0.241608D+01  0.402662D+01 -0.826582D+00
      2  -0.774756D+00 -0.552531D+00 -0.609283D+00 -0.188454D+01 -0.229853D+01
      3   0.966683D+00  0.161140D+01 -0.337380D+00  0.434111D+01  0.799277D+00
               171           172           173           174           175 
      1  -0.734293D+01 -0.360934D+01  0.915941D+00  0.265261D+01  0.141373D+01
      2  -0.613834D+01 -0.128356D+02  0.438199D+01  0.106457D+02  0.379112D+01
      3  -0.919734D+00 -0.188533D+00 -0.576384D+01 -0.105853D+01 -0.408880D+01
               176           177           178           179           180 
      1  -0.509630D+00 -0.158403D+01  0.339102D+01  0.159115D+00 -0.285107D+01
      2  -0.169733D+01 -0.355053D+01  0.114200D+02 -0.427781D+01 -0.117818D+02
      3   0.354163D+01 -0.549847D-01 -0.870094D+00  0.325623D+01  0.133113D+01
               181           182           183           184           185 
      1   0.184427D+01  0.192365D+01  0.116990D+01  0.200500D+01  0.548902D+01
      2   0.208361D+01  0.235658D+01  0.469491D+01  0.317368D+01  0.675639D+01
      3  -0.652200D+01 -0.581429D+01 -0.446823D+01 -0.585822D+01 -0.149205D+02
               186           187           188           189           190 
      1   0.155133D+01  0.215641D+01  0.421370D+01  0.216586D+01 -0.331123D+00
      2   0.724303D+01  0.424701D+01  0.414672D+01  0.889193D+01  0.103870D+01
      3  -0.900365D+01 -0.450454D+01 -0.925267D+01 -0.612442D+01  0.285184D+01
               191           192           193           194           195 
      1   0.425324D-01 -0.125910D+00 -0.200299D+00 -0.164137D+01 -0.260305D+01
      2   0.167984D+01 -0.193146D+00 -0.445952D+00  0.107558D+02 -0.997169D+01
      3   0.881068D+00 -0.141181D+01 -0.169796D+01  0.178092D+02 -0.111177D+02
               196           197           198           199           200 
      1   0.916983D+00  0.163562D+01  0.244624D+01  0.115218D+00 -0.145693D+01
      2   0.229978D+01 -0.936747D+01  0.118092D+02 -0.303539D+00  0.156205D+01
      3   0.541992D+00 -0.120440D+02  0.905008D+01  0.615572D+00 -0.196750D+00
               201           202           203           204           205 
      1  -0.416184D+00 -0.267659D+01 -0.606644D+01 -0.131960D+01 -0.550368D+01
      2  -0.465839D+00  0.240188D+01  0.115311D+01  0.550668D+00 -0.273418D+01
      3   0.272888D+00  0.276409D+01 -0.201061D+01 -0.178652D+00 -0.147569D+01
               206           207           208           209           210 
      1   0.243797D+01 -0.122414D+01  0.102241D+01 -0.206993D-01 -0.139560D+00
      2   0.246642D-01  0.474200D+00  0.244830D+01 -0.453255D+00  0.418090D+00
      3   0.561348D+00 -0.102246D+01  0.377857D+01  0.108162D+01 -0.300906D+00
               211           212           213           214           215 
      1  -0.849502D+00  0.651509D+00 -0.355776D+01 -0.196338D+01  0.193719D+00
      2  -0.427899D+00  0.371130D+01 -0.244805D+01 -0.361729D+01 -0.247273D+01
      3   0.693197D+01  0.134668D+02 -0.328073D+01 -0.129704D+01 -0.409592D+01
               216           217           218           219           220 
      1   0.632040D+00 -0.350834D+00 -0.340118D+00  0.132068D+01 -0.136092D+01
      2   0.112185D+01 -0.116740D+01  0.812635D+00 -0.176953D+01  0.195908D+01
      3   0.231374D+01 -0.444723D+00  0.264522D+01 -0.180229D+01  0.251340D+00
               221           222           223           224           225 
      1   0.101598D+01 -0.190094D+01 -0.248879D+01 -0.250407D+01  0.128783D+02
      2  -0.303382D+01  0.316587D+01  0.131423D+01  0.744356D+01 -0.251106D+02
      3  -0.438362D+01  0.308736D+01 -0.406162D-02  0.558108D+01 -0.743976D+01
               226           227           228           229           230 
      1  -0.237707D+01 -0.676880D+00 -0.217568D+01 -0.742889D+00 -0.769364D+00
      2   0.635838D+01  0.178283D+01  0.661241D+01  0.149439D+01  0.163055D+01
      3   0.408220D+01 -0.487887D+01  0.603580D+00  0.583126D+00 -0.131256D+01
               231           232           233           234           235 
      1  -0.135683D+01 -0.116817D+01 -0.208991D-01 -0.294579D+00 -0.429693D+00
      2   0.140291D+01  0.335484D+01  0.187054D+01  0.103245D+01  0.304474D+01
      3  -0.106547D+01  0.340826D+00 -0.221565D+01 -0.977465D+00 -0.592654D+01
               236           237           238           239           240 
      1   0.365949D+01  0.254159D+01  0.174037D+01 -0.550504D+01 -0.413523D+01
      2  -0.250073D+01 -0.244967D+01 -0.717739D+00  0.543637D+01  0.449719D+01
      3   0.125433D+02  0.421949D+01  0.680970D+01 -0.203727D+02 -0.615055D+01
               241           242           243 
      1  -0.160813D+00 -0.411039D+01 -0.314947D+01
      2  -0.104433D+01  0.672719D+01  0.375023D+01
      3   0.303011D+01 -0.101481D+02 -0.811822D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1   0.141231D+02 -0.141340D+01  0.776405D+01 -0.483474D+01  0.157642D+01
      2   0.536946D+01 -0.582565D+01 -0.174974D+01 -0.194125D+01 -0.181058D+02
      3  -0.194925D+02  0.723905D+01 -0.601431D+01  0.677599D+01  0.165294D+02
      4  -0.114131D+01 -0.297914D+01 -0.204831D+02 -0.286589D+01  0.127900D+02
      5   0.144896D+02 -0.118858D+02 -0.163760D+02 -0.104882D+02 -0.801931D+01
      6  -0.146947D+02  0.124264D+02  0.105562D+02  0.686187D+01  0.128466D+02
                 6             7             8             9            10 
      1  -0.169912D+02  0.621277D+01 -0.188572D+02 -0.973381D+00 -0.179218D+02
      2   0.218322D+02 -0.171291D+01  0.280983D+02  0.229732D+01  0.712260D+01
      3  -0.484096D+01 -0.449986D+01 -0.924105D+01 -0.132394D+01  0.107992D+02
      4  -0.305897D+01 -0.230297D+02 -0.204642D+00  0.129200D+02  0.192746D+01
      5   0.806210D+01 -0.184733D+02  0.133641D+02  0.132250D+02 -0.262481D+02
      6   0.807276D+00  0.120648D+02 -0.353445D+01 -0.761716D+01  0.959456D+01
                11            12            13            14            15 
      1   0.347158D+01 -0.186219D+02  0.108138D+02  0.920911D+01  0.132971D+02
      2  -0.999983D+00  0.449202D+01 -0.485916D+01  0.256277D+01 -0.680242D+01
      3  -0.247159D+01  0.141299D+02 -0.595463D+01 -0.117719D+02 -0.649465D+01
      4   0.750944D+01  0.128249D+02  0.984273D+01 -0.228666D+02  0.139835D+02
      5   0.103291D+02  0.381644D+01  0.115265D+02  0.186228D+02 -0.795197D+01
      6  -0.908848D+01 -0.311036D+01  0.115527D+01  0.754443D+00 -0.661322D+01
                16            17            18            19            20 
      1  -0.188961D+02  0.170916D+02 -0.221087D+01  0.366397D+02  0.428872D+01
      2   0.501022D+00 -0.157726D+02 -0.381150D+01 -0.124550D+02 -0.631796D+01
      3   0.183951D+02 -0.131896D+01  0.602237D+01 -0.241847D+02  0.202924D+01
      4   0.164811D+02  0.942549D+01 -0.752187D+01  0.972259D+00 -0.432827D+01
      5   0.148266D+02 -0.919441D+01  0.326304D-01  0.201318D+01 -0.146159D+01
      6  -0.809891D+01 -0.147441D+00  0.235756D+01 -0.579354D+01  0.281565D+01
                21            22            23            24            25 
      1   0.587768D+01  0.430383D+00 -0.386286D+01 -0.773742D+01  0.268265D+02
      2   0.449996D+01 -0.251530D+01 -0.561353D+01 -0.345778D+00  0.578768D+01
      3  -0.103776D+02  0.208492D+01  0.947640D+01  0.808320D+01 -0.326142D+02
      4  -0.301634D+01 -0.726900D+01 -0.247389D+01  0.238822D+01 -0.120665D+02
      5  -0.426419D+01 -0.512942D+01  0.403968D+00  0.628695D+01 -0.150380D+02
      6   0.336665D+01  0.684871D-01 -0.562124D+01  0.276290D+01  0.446540D+01
                26            27            28            29            30 
      1  -0.103964D+02  0.199414D+02 -0.110866D+03  0.780094D+01 -0.127312D+02
      2   0.597351D+01  0.925499D+01  0.439128D+02 -0.532009D+01  0.466850D+01
      3   0.442290D+01 -0.291964D+02  0.669532D+02 -0.248085D+01  0.806268D+01
      4   0.569414D+01  0.832310D+01  0.131938D+02 -0.110151D+02  0.870307D+00
      5   0.984017D+01 -0.173577D+02 -0.499083D+01 -0.634346D+00 -0.883753D+01
      6   0.251189D+00 -0.102965D+01  0.904846D+01  0.269448D+01  0.140581D+01
                31            32            33            34            35 
      1   0.405426D+02 -0.511469D+01  0.198518D+01 -0.451037D+02 -0.217070D+01
      2  -0.194023D+02  0.297707D+01  0.362230D-01  0.122636D+02  0.363329D+01
      3  -0.211403D+02  0.213762D+01 -0.202140D+01  0.328401D+02 -0.146259D+01
      4  -0.109300D+02 -0.159566D+01  0.133725D+01  0.770143D+01 -0.316172D+01
      5   0.805508D+01  0.274612D+01  0.582270D+00 -0.100769D+02 -0.128287D+01
      6   0.148976D+01  0.939108D+01 -0.881272D+00  0.111288D+01  0.303606D+01
                36            37            38            39            40 
      1  -0.301809D+02  0.151887D+03 -0.215190D+02  0.302486D+02 -0.195394D+02
      2   0.117083D+00 -0.667714D+02  0.100768D+02 -0.111516D+02  0.491622D+01
      3   0.300639D+02 -0.851153D+02  0.114423D+02 -0.190970D+02  0.146232D+02
      4   0.283329D+01 -0.404889D+02  0.137283D+02 -0.594816D+01  0.150931D+02
      5  -0.142118D+02  0.255964D+02 -0.213145D+01  0.194153D+02  0.328482D+01
      6   0.476112D+01 -0.122196D+02 -0.122837D+01 -0.339189D+01 -0.132165D+01
                41            42            43            44            45 
      1   0.110524D+02 -0.924044D+01  0.413413D+02 -0.954813D+01  0.105641D+02
      2  -0.949567D+01  0.404568D+01 -0.188173D+02  0.841533D+01 -0.749655D+01
      3  -0.155673D+01  0.519476D+01 -0.225241D+02  0.113280D+01 -0.306755D+01
      4   0.103378D+02 -0.609025D+01 -0.550293D+01 -0.734616D+01 -0.413011D+01
      5  -0.808317D+01 -0.585129D+00  0.284811D+02 -0.472282D+01  0.729470D+01
      6   0.559568D+01  0.314832D+01 -0.931085D+01  0.537824D+01  0.340961D+00
                46            47            48            49            50 
      1  -0.136399D+03  0.333517D+02 -0.271341D+02  0.549129D+02 -0.214350D+02
      2   0.636652D+02 -0.157904D+02  0.157136D+02 -0.332846D+02  0.476848D+01
      3   0.727342D+02 -0.175614D+02  0.114206D+02 -0.216284D+02  0.166665D+02
      4   0.608715D+02 -0.328815D+02  0.174766D+02 -0.323729D+02 -0.122228D+02
      5  -0.457837D+02  0.135274D+02 -0.275193D+02  0.269633D+02  0.284943D+00
      6   0.179596D+02 -0.626505D+01  0.306357D+01  0.111445D+00  0.475038D+01
                51            52            53            54            55 
      1   0.167086D+02 -0.612473D+02  0.145749D+02 -0.178653D+02  0.159184D+03
      2  -0.136898D+02  0.301079D+02 -0.378925D+01  0.580324D+01 -0.783175D+02
      3  -0.301882D+01  0.311393D+02 -0.107856D+02  0.120621D+02 -0.808664D+02
      4   0.589774D+00  0.327690D+02 -0.302715D+01  0.728039D+01 -0.623306D+02
      5   0.472649D+01 -0.142896D+02  0.512742D+01 -0.150929D+02  0.415282D+02
      6  -0.542968D+01  0.201416D+01  0.890182D+00  0.596862D+01 -0.984276D+01
                56            57            58            59            60 
      1  -0.364549D+02  0.292578D+02 -0.935958D+02  0.272726D+02 -0.151703D+02
      2   0.134494D+02 -0.182446D+02  0.387720D+02 -0.235184D+01  0.902412D+01
      3   0.230056D+02 -0.110132D+02  0.548238D+02 -0.249208D+02  0.614615D+01
      4   0.396743D+02 -0.133961D+02  0.650429D+02 -0.453097D+02  0.164268D+02
      5  -0.113431D+02  0.321652D+02 -0.269266D+02  0.137423D+02 -0.175981D+02
      6   0.456056D+01 -0.613054D+01  0.114945D+02 -0.671469D+01  0.118035D+02
                61            62            63            64            65 
      1   0.595260D+02 -0.684095D+01  0.266938D+02 -0.136203D+02  0.984047D+00
      2  -0.343720D+02  0.500610D+01 -0.222614D+02  0.548116D+01  0.203938D+01
      3  -0.251540D+02  0.183486D+01 -0.443243D+01  0.813913D+01 -0.302343D+01
      4  -0.221513D+02  0.128326D+02 -0.210589D+02  0.185948D+01 -0.827828D+01
      5   0.530794D+02 -0.194981D+02  0.376368D+02  0.340508D+02 -0.202757D+02
      6  -0.108221D+02  0.111335D+02 -0.989667D+01 -0.105935D+02  0.295518D+01
                66            67            68            69            70 
      1   0.283555D+02 -0.336173D+01 -0.610973D+01 -0.274966D+02  0.420663D+02
      2  -0.112961D+02  0.587464D+01  0.534925D+01  0.188763D+02 -0.162502D+02
      3  -0.170594D+02 -0.251290D+01  0.760479D+00  0.862030D+01 -0.258161D+02
      4  -0.226197D+02 -0.167809D+02  0.684411D+01 -0.272047D+02 -0.247456D+02
      5  -0.734187D+01 -0.188829D+02 -0.297135D+02  0.414762D+01 -0.201141D+02
      6  -0.660163D-01 -0.179960D+01  0.104186D+02 -0.110853D+02  0.308069D+01
                71            72            73            74            75 
      1  -0.300610D+02 -0.109093D+02 -0.169769D+02 -0.133725D+02  0.211916D+02
      2   0.210951D+02  0.516836D+01  0.102945D+02  0.714975D+01  0.312283D+01
      3   0.896595D+01  0.574092D+01  0.668242D+01  0.622277D+01 -0.243144D+02
      4  -0.243735D+02  0.889361D+01 -0.229788D+02 -0.883563D+01  0.138506D+02
      5   0.771292D+01 -0.638912D+01  0.245698D+02  0.130178D+02 -0.278333D+01
      6  -0.122130D+02  0.282585D+01  0.116414D+02  0.960898D+01  0.240730D+01
                76            77            78            79            80 
      1  -0.130586D+02 -0.879439D+01  0.125282D+02  0.123540D+02  0.697413D+01
      2   0.952090D+01  0.203914D+01 -0.133206D+02  0.398353D+01 -0.613291D+01
      3   0.353769D+01  0.675525D+01  0.792464D+00 -0.163375D+02 -0.841223D+00
      4  -0.726855D+01  0.216001D+02 -0.917159D+01  0.896185D+01 -0.430558D+01
      5   0.157250D+02 -0.158377D+02 -0.553879D+01  0.915463D+00 -0.527804D+01
      6   0.873581D+00 -0.115619D+02  0.278914D+01  0.383465D+01 -0.108559D+01
                81            82            83            84            85 
      1   0.141068D+02  0.502105D+01 -0.122027D+02  0.456271D+01 -0.890088D+01
      2  -0.300562D+01 -0.719211D+01  0.183798D+02 -0.120078D+02  0.114785D+02
      3  -0.111012D+02  0.217106D+01 -0.617712D+01  0.744507D+01 -0.257764D+01
      4  -0.108322D+01 -0.533530D+01 -0.494452D+01 -0.117752D+02 -0.714718D-01
      5   0.370796D+00 -0.629010D+01 -0.125926D+02 -0.107937D+02 -0.124409D+02
      6   0.376952D+01 -0.608420D+01 -0.137207D+02 -0.130462D+02 -0.946488D+01
                86            87            88            89            90 
      1   0.475179D+01 -0.340624D+01  0.874575D+01 -0.399132D+01 -0.122005D+02
      2  -0.266329D+01 -0.290728D+00 -0.171464D+02 -0.334700D+01  0.841553D+01
      3  -0.208850D+01  0.369697D+01  0.840067D+01  0.733832D+01  0.378492D+01
      4   0.504674D+01 -0.103746D+02 -0.115171D+02 -0.159685D+02 -0.818957D+01
      5  -0.501674D+01  0.124512D+01 -0.137018D+02 -0.254859D+01  0.250874D+01
      6  -0.197093D+01 -0.194558D+01 -0.136392D+02 -0.130186D+01  0.708473D+00
                91            92            93            94            95 
      1  -0.598312D+02 -0.288896D+02 -0.138955D+02 -0.124070D+02  0.202390D+02
      2   0.252800D+02  0.237319D+02  0.110228D+02  0.137310D+02 -0.800670D+01
      3   0.345512D+02  0.515775D+01  0.287271D+01 -0.132405D+01 -0.122323D+02
      4  -0.247409D+02  0.168322D+02 -0.619772D+01  0.198442D+02  0.134326D+02
      5  -0.123633D+02 -0.319181D+01  0.118254D+02 -0.359708D+01 -0.104725D+02
      6  -0.559644D+01  0.126409D+01  0.616720D+01 -0.128076D+01 -0.103006D+02
                96            97            98            99           100 
      1   0.260850D+01 -0.223649D+02  0.235607D+00  0.182508D+02  0.475752D+02
      2  -0.773191D+01  0.111067D+02 -0.116577D+02 -0.355172D+01 -0.248969D+02
      3   0.512341D+01  0.112582D+02  0.114220D+02 -0.146991D+02 -0.226783D+02
      4  -0.868107D+01 -0.821348D+01 -0.857510D+01 -0.104739D+02  0.345689D+02
      5  -0.559210D+01  0.311040D+01 -0.123605D+02  0.289486D+02 -0.338225D+02
      6  -0.818012D+00  0.132964D+01 -0.734861D+01  0.136642D+02 -0.135096D+02
               101           102           103           104           105 
      1   0.112782D+02 -0.143839D+02  0.901099D+01  0.589795D+01 -0.244150D+01
      2  -0.267577D+01  0.972431D+01 -0.129548D+01  0.238187D+01  0.150045D+01
      3  -0.860240D+01  0.465960D+01 -0.771551D+01 -0.827982D+01  0.941050D+00
      4   0.217458D+02 -0.142986D+02  0.182716D+02  0.130355D+02 -0.724686D+01
      5  -0.122642D+02  0.204741D+02 -0.892587D+01 -0.710130D+01  0.602532D+01
      6  -0.913671D+01  0.854908D+01 -0.762263D+01 -0.501315D+01  0.564159D+01
               106           107           108           109           110 
      1  -0.100657D+02 -0.239218D+01  0.402879D+01 -0.481582D+01  0.536805D+01
      2   0.736925D+01  0.276045D+01 -0.662136D+01 -0.172034D+01 -0.341723D+01
      3   0.269640D+01 -0.368264D+00  0.259257D+01  0.653617D+01 -0.195083D+01
      4  -0.910417D+01 -0.519422D+01  0.891719D+01 -0.354253D+00 -0.116703D+01
      5   0.165517D+02  0.732299D+01 -0.140883D+02 -0.652509D+00 -0.119135D+01
      6   0.692901D+01  0.496528D+01 -0.762948D+01 -0.432893D+01  0.323431D+01
               111           112           113           114           115 
      1  -0.150440D+02  0.196929D+01 -0.436318D+01  0.437201D+00 -0.104610D+02
      2  -0.242294D+01 -0.157468D+01  0.922798D+00 -0.130021D+01  0.123924D+01
      3   0.174669D+02 -0.394612D+00  0.344038D+01  0.863007D+00  0.922176D+01
      4  -0.286579D+01  0.158991D+01 -0.145405D+01 -0.784843D+00 -0.278484D+01
      5  -0.220134D+01 -0.149206D+01  0.615934D+00  0.555159D+00  0.223122D+01
      6  -0.755258D+01  0.166838D+01 -0.189562D+01  0.692271D+01 -0.182673D+01
               116           117           118           119           120 
      1   0.475889D+01 -0.254448D+02 -0.349476D+01  0.384155D+00 -0.174731D+01
      2  -0.114463D+01 -0.909467D+01 -0.584624D+01  0.249154D+00 -0.492694D+01
      3  -0.361426D+01  0.345394D+02  0.934100D+01 -0.633309D+00  0.667425D+01
      4  -0.396249D+01  0.159258D+01 -0.341903D+00  0.377481D+01 -0.703714D+00
      5   0.343196D+01 -0.142329D+02  0.840150D+01 -0.195206D+01  0.129540D+02
      6   0.730660D+01 -0.159097D+02 -0.403554D+00  0.837505D+00  0.157135D+00
               121           122           123           124           125 
      1   0.669168D+01 -0.516482D+01  0.380380D+01 -0.837169D+01  0.139929D+01
      2  -0.259046D+01 -0.111876D-01  0.305414D+01 -0.731616D+01  0.348333D+01
      3  -0.410122D+01  0.517601D+01 -0.685793D+01  0.156879D+02 -0.488262D+01
      4   0.277548D+01 -0.108003D+01  0.322502D+01  0.999531D+00  0.289011D+01
      5  -0.258190D+01  0.380993D+01 -0.319322D+01  0.181890D+02 -0.345143D+01
      6   0.142577D+01 -0.125572D+01  0.738075D+01  0.579138D+00  0.548833D+01
               126           127           128           129           130 
      1  -0.281387D+02 -0.765979D+01  0.169296D+02  0.280380D+00  0.924269D+01
      2  -0.208891D+02  0.109184D+02 -0.237732D+02  0.790514D+00 -0.130177D+02
      3   0.490278D+02 -0.325865D+01  0.684365D+01 -0.107089D+01  0.377501D+01
      4  -0.208896D+01 -0.670125D+01  0.370258D+01  0.162182D+01  0.611309D+01
      5   0.250586D+02 -0.440078D+00  0.142297D+01  0.132997D+01  0.179013D+01
      6  -0.212491D+00 -0.517227D-02  0.471244D+00 -0.250425D+01  0.512911D+00
               131           132           133           134           135 
      1  -0.250272D+02 -0.383665D+00 -0.214014D+01  0.378332D+01 -0.369465D+01
      2   0.376273D+02  0.560514D+00  0.299732D+01 -0.466916D+01  0.379254D+01
      3  -0.126001D+02 -0.176849D+00 -0.857181D+00  0.885842D+00 -0.978890D-01
      4  -0.314666D+00  0.116953D+01  0.300052D+00  0.592199D+00  0.574673D+00
      5   0.302115D+00  0.713123D+00  0.258823D+01  0.117960D+01 -0.722182D+00
      6   0.639985D+00  0.587005D+01 -0.759590D+00  0.688076D+01 -0.169819D+01
               136           137           138           139           140 
      1   0.818349D+01  0.581515D+00  0.158715D+01  0.149474D+01 -0.640354D+01
      2   0.214191D+01  0.700041D+01  0.234678D+01  0.452270D+01  0.155502D+02
      3  -0.103254D+02 -0.758193D+01 -0.393393D+01 -0.601744D+01 -0.914663D+01
      4   0.216277D+02  0.201635D+02  0.119635D+02  0.154370D+02  0.188766D+02
      5   0.130317D+02  0.980316D+01  0.126846D+02  0.696907D+01  0.969469D+01
      6   0.104546D+02  0.106442D+02  0.112451D+02  0.783900D+01  0.134867D+02
               141           142           143           144           145 
      1  -0.339981D+01  0.475538D+00 -0.568065D+01 -0.344423D+01 -0.309539D+01
      2   0.698558D+01  0.263490D+01  0.899313D+01  0.171780D+01  0.421661D+01
      3  -0.358577D+01 -0.311044D+01 -0.331249D+01  0.172644D+01 -0.112122D+01
      4   0.107557D+02  0.128711D+02  0.144478D+02  0.135465D+02 -0.125119D+01
      5   0.750439D+01  0.121923D+02  0.106560D+02  0.144996D+02  0.141971D+00
      6   0.105583D+02  0.113013D+02  0.145529D+02  0.164635D+02  0.177359D-01
               146           147           148           149           150 
      1  -0.527433D+01  0.920334D+00 -0.335172D+01 -0.244821D+02  0.426914D+01
      2   0.650959D+01 -0.158627D+01  0.299060D+01  0.472353D+02 -0.115562D+02
      3  -0.123525D+01  0.665936D+00  0.361116D+00 -0.227533D+02  0.728702D+01
      4   0.570849D+01  0.465649D+00  0.649140D+01 -0.194228D+02  0.316588D+01
      5   0.183789D+01  0.241071D+01  0.159504D+01  0.531822D+01 -0.477722D+01
      6  -0.111444D+01 -0.452903D-01 -0.107547D+01 -0.147610D+01  0.786578D+01
               151           152           153           154           155 
      1   0.259330D+01  0.115173D+02 -0.419436D+01 -0.974413D+01 -0.528549D+01
      2  -0.153142D+01 -0.216205D+02  0.778125D+01 -0.206409D+01  0.603759D+01
      3  -0.106188D+01  0.101033D+02 -0.358689D+01  0.118082D+02 -0.752101D+00
      4  -0.199808D+01  0.965103D+01 -0.496014D+01  0.133321D+02 -0.523276D+00
      5   0.213313D+01 -0.559707D+01  0.347476D+01  0.597589D+01  0.413257D+00
      6  -0.698044D+00  0.731414D+01 -0.683125D+01  0.491997D+01  0.382230D+01
               156           157           158           159           160 
      1  -0.111731D+02  0.477332D+00 -0.206746D+01  0.336631D+01 -0.896740D+01
      2  -0.506365D+00  0.210511D+01  0.214862D+01 -0.541715D+00 -0.572772D+00
      3   0.116794D+02 -0.258244D+01 -0.811603D-01 -0.282459D+01  0.954017D+01
      4   0.624103D+01 -0.357031D+00  0.171317D+01  0.520779D+00  0.757439D+01
      5   0.339582D+01  0.357973D+00  0.198060D+01  0.587589D+00  0.530524D+01
      6   0.592339D+01  0.211548D+01 -0.145826D+01  0.137354D+01  0.315817D+01
               161           162           163           164           165 
      1   0.248704D-01 -0.100478D+02  0.103624D+02  0.514110D+00 -0.209521D+01
      2  -0.831952D+00 -0.258927D+01 -0.102876D+02 -0.174296D+01  0.731231D+01
      3   0.807082D+00  0.126371D+02 -0.747746D-01  0.122885D+01 -0.521709D+01
      4   0.303040D+00  0.253691D+01 -0.182302D+02  0.152319D+02  0.150444D+02
      5  -0.168538D+01 -0.802696D-01 -0.234617D+02  0.120075D+02  0.225385D+02
      6   0.391746D+01  0.661436D+01  0.127515D+02 -0.115221D+02 -0.137264D+02
               166           167           168           169           170 
      1   0.762847D+00 -0.318765D+01 -0.181426D+01 -0.384276D+01 -0.341017D+01
      2  -0.193193D+01  0.572772D+01  0.885909D+00  0.841178D+01 -0.820497D+00
      3   0.116908D+01 -0.254007D+01  0.928355D+00 -0.456903D+01  0.423067D+01
      4   0.940602D+01 -0.106217D+02 -0.779467D+01  0.149389D+02 -0.113112D+02
      5   0.554764D+01 -0.731202D+01 -0.600864D+01  0.218227D+02 -0.129816D+02
      6  -0.737092D+01  0.779056D+01  0.958375D+01 -0.127213D+02  0.140970D+02
               171           172           173           174           175 
      1  -0.634599D+01  0.680930D+02 -0.135075D+02 -0.199222D+02 -0.126287D+02
      2  -0.983172D+01 -0.322686D+02  0.384512D+01  0.880275D+01  0.257142D+01
      3   0.161777D+02 -0.358244D+02  0.966241D+01  0.111194D+02  0.100573D+02
      4  -0.155472D+02 -0.230791D+02  0.145728D+02  0.840497D+01  0.191324D+02
      5  -0.276130D+02 -0.206767D+02  0.642211D+01  0.161530D+02  0.555387D+01
      6   0.210854D+02  0.478299D+01 -0.133194D+01 -0.318955D+01 -0.153378D+01
               176           177           178           179           180 
      1   0.964748D+01  0.553070D+01 -0.437688D+02  0.107842D+02  0.158691D+02
      2  -0.237504D+01 -0.179299D+01  0.209015D+02 -0.390404D+01 -0.913609D+01
      3  -0.727244D+01 -0.373772D+01  0.228673D+02 -0.688017D+01 -0.673302D+01
      4  -0.117174D+02 -0.324444D+01  0.176744D+02 -0.100033D+02 -0.832200D+01
      5  -0.229260D+01 -0.481080D+01  0.240443D+02 -0.744150D+01 -0.204103D+02
      6   0.732813D+00  0.414657D+01 -0.504762D+01  0.441588D+01  0.484563D+01
               181           182           183           184           185 
      1   0.212563D+02  0.103583D+02  0.770947D+01  0.233793D+02  0.858600D+01
      2  -0.131677D+02 -0.707302D+01 -0.677954D+01 -0.148717D+02 -0.588169D+01
      3  -0.808852D+01 -0.328524D+01 -0.929938D+00 -0.850752D+01 -0.270430D+01
      4   0.994844D+01  0.983532D+01  0.788388D+01  0.141640D+02  0.227484D+02
      5   0.107623D+02  0.923023D+01  0.121036D+02  0.159206D+02  0.149399D+02
      6   0.307415D+01  0.148094D+01  0.105950D+01  0.242072D+01  0.483742D+01
               186           187           188           189           190 
      1   0.108049D+02  0.105800D+02  0.733546D+01  0.940666D+01  0.119470D+01
      2  -0.104780D+02 -0.100641D+02 -0.803609D+01 -0.121538D+02  0.385239D-01
      3  -0.326896D+00 -0.515896D+00  0.700629D+00  0.274717D+01 -0.123322D+01
      4   0.143529D+02  0.859959D+01  0.134736D+02  0.870131D+01 -0.392816D+01
      5   0.160952D+02  0.187345D+02  0.102348D+02  0.216338D+02  0.214307D+00
      6   0.475106D+01  0.106601D+01  0.567656D+01  0.237051D+01 -0.194054D+01
               191           192           193           194           195 
      1  -0.699271D+01  0.288190D+01 -0.974567D+01 -0.821840D+01  0.768901D+01
      2   0.428533D+01 -0.110437D+01  0.275814D+01  0.136774D+02 -0.533245D+01
      3   0.270739D+01 -0.177753D+01  0.698753D+01 -0.545904D+01 -0.235656D+01
      4   0.236809D+01  0.307225D+00  0.155345D+02 -0.332894D+02  0.203951D+02
      5  -0.230205D-01  0.193727D+01 -0.721802D+01  0.200876D+02 -0.178053D+02
      6  -0.133959D+01  0.997009D+00  0.476976D+01 -0.178091D+02  0.148275D+02
               196           197           198           199           200 
      1   0.372652D+01  0.845950D+01 -0.485396D+01  0.260657D+00  0.190302D+01
      2  -0.271247D+01 -0.543803D+01 -0.161022D+01 -0.114171D+01 -0.111272D+00
      3  -0.101404D+01 -0.302146D+01  0.646418D+01  0.881052D+00 -0.179175D+01
      4  -0.609021D+01  0.207051D+02 -0.167934D+02  0.404786D+01  0.548967D+01
      5   0.122486D+02 -0.168964D+02  0.228175D+02 -0.168441D+01 -0.228733D+01
      6  -0.409601D+01  0.147715D+02 -0.147943D+02 -0.227789D+01 -0.988690D+00
               201           202           203           204           205 
      1  -0.139129D+01  0.240789D+01 -0.120431D+02  0.658633D+01 -0.804392D+00
      2   0.538754D+00 -0.162350D+00  0.105002D+02 -0.211465D+01  0.356342D+01
      3   0.852531D+00 -0.224554D+01  0.154292D+01 -0.447168D+01 -0.275902D+01
      4  -0.123735D+01  0.468955D+01  0.821166D+01 -0.345555D+01 -0.689972D+00
      5   0.182174D+01 -0.271163D+01 -0.502651D+01  0.319959D+01  0.200085D+01
      6   0.657309D+00 -0.114139D+01 -0.112968D+02  0.693231D+01  0.205127D+01
               206           207           208           209           210 
      1   0.540760D+01 -0.223840D+01 -0.162708D+01 -0.156705D+01  0.631889D+00
      2  -0.234350D+01  0.813367D+00  0.300488D+01  0.803801D+00 -0.281203D+00
      3  -0.306410D+01  0.142503D+01 -0.137781D+01  0.763245D+00 -0.350686D+00
      4  -0.162127D+01  0.900023D+00 -0.970276D+00  0.516999D+01 -0.124568D+01
      5   0.227193D+01 -0.851810D+00  0.951676D+00 -0.699013D+00  0.677796D+00
      6   0.539841D+01 -0.441025D+01 -0.746980D+00  0.103872D+01 -0.422553D-01
               211           212           213           214           215 
      1  -0.531959D+01 -0.196225D+02  0.452890D+01  0.286164D+01  0.630772D+01
      2   0.284568D+01  0.247578D+02 -0.429863D+01 -0.465897D+00 -0.632417D+01
      3   0.247390D+01 -0.513536D+01 -0.230268D+00 -0.239575D+01  0.164480D-01
      4   0.295726D+01 -0.175997D+02  0.401139D+01 -0.172113D+01  0.605572D+01
      5  -0.790327D+00  0.317389D+01 -0.249769D+01 -0.487038D+00 -0.273742D+01
      6   0.863527D+00 -0.344803D+01  0.484916D+01  0.138949D+01  0.452743D+01
               216           217           218           219           220 
      1  -0.498464D+01  0.597809D+01  0.550251D+01 -0.628524D+01  0.402274D+01
      2   0.373012D+01 -0.456383D+01 -0.424770D+01  0.204484D+01 -0.187274D+01
      3   0.125453D+01 -0.141426D+01 -0.125481D+01  0.424039D+01 -0.215000D+01
      4  -0.330598D+01  0.217911D+01 -0.303326D+01 -0.882454D+00  0.253839D+01
      5   0.224296D+01 -0.351535D+01  0.515900D+00  0.334177D+00  0.401970D-01
      6  -0.343756D+01 -0.205077D+01  0.976440D+00 -0.214410D+01 -0.112550D+01
               221           222           223           224           225 
      1  -0.693626D+01  0.396223D+01 -0.897529D+01  0.357073D+01 -0.164680D+02
      2   0.499913D+01 -0.320295D+01  0.579119D+01 -0.118094D+01 -0.798967D+01
      3   0.193714D+01 -0.759275D+00  0.318410D+01 -0.238979D+01  0.244577D+02
      4   0.639141D+01 -0.567844D+01 -0.100927D+02 -0.143001D+02  0.127112D+02
      5  -0.602439D+01  0.607286D+01  0.116978D+02  0.145856D+02 -0.473361D+02
      6  -0.436306D+01  0.842514D+01  0.424662D+01  0.118842D+02 -0.230958D+02
               226           227           228           229           230 
      1   0.878665D+02  0.203863D+02  0.580966D+01  0.837700D+01  0.813515D+01
      2  -0.397470D+02 -0.589302D+01 -0.227470D+01 -0.249431D-01 -0.424967D+00
      3  -0.481195D+02 -0.144933D+02 -0.353496D+01 -0.835206D+01 -0.771018D+01
      4   0.423022D+02  0.215951D+02  0.318519D+01  0.154909D+02  0.993757D+01
      5   0.144274D+01  0.739501D+00  0.117410D+02  0.774284D+00  0.192550D+01
      6   0.268663D+01  0.362703D+00  0.397851D+01 -0.206618D+00  0.118300D+01
               231           232           233           234           235 
      1   0.403973D+00  0.132633D+02  0.293646D+01  0.785662D+01 -0.530979D+01
      2   0.101942D+01 -0.616206D+01  0.316653D+00 -0.489957D+01  0.586293D+01
      3  -0.142339D+01 -0.710123D+01 -0.325312D+01 -0.295706D+01 -0.553144D+00
      4   0.247154D+01  0.744245D+01  0.546931D+01  0.625893D+01 -0.690684D+00
      5   0.200215D+01  0.121045D+02  0.474667D+01  0.190073D+01  0.456444D+01
      6   0.188428D+01  0.414074D+01  0.286625D+01  0.619801D+00  0.315645D+01
               236           237           238           239           240 
      1   0.157336D+02  0.775320D+01  0.160292D+02 -0.229513D+02 -0.757261D+01
      2  -0.165482D+02 -0.595131D+01 -0.103854D+02  0.305371D+02  0.926660D+01
      3   0.814594D+00 -0.180189D+01 -0.564382D+01 -0.758580D+01 -0.169399D+01
      4  -0.999178D+01  0.245750D+00  0.319810D+01  0.232705D+02  0.579771D+01
      5  -0.161733D+01 -0.481696D+01 -0.291857D+01  0.725113D+01  0.855307D+01
      6  -0.345762D+01 -0.458436D+01 -0.192213D+01  0.747397D+01  0.729357D+01
               241           242           243 
      1   0.923278D+01 -0.895682D+01 -0.110851D+02
      2  -0.473880D+01  0.120937D+02  0.748788D+01
      3  -0.449398D+01 -0.313691D+01  0.359726D+01
      4   0.339392D+01  0.118147D+02  0.748568D+01
      5  -0.379535D+00  0.946965D+01  0.454616D+01
      6  -0.147597D+01  0.100035D+02  0.588304D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.163722D+01      0.416139D+01      0.138809D+02
   x         -0.135546D+01     -0.344525D+01     -0.114921D+02
   y          0.754877D+00      0.191871D+01      0.640011D+01
   z         -0.522841D+00     -0.132893D+01     -0.443283D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.122679D+03      0.181792D+02      0.202271D+02
   aniso      0.542071D+02      0.803267D+01      0.893755D+01
   xx         0.156097D+03      0.231311D+02      0.257369D+02
   yx        -0.454232D+01     -0.673103D+00     -0.748928D+00
   yy         0.113939D+03      0.168841D+02      0.187861D+02
   zx         0.647779D+01      0.959910D+00      0.106804D+01
   zy        -0.398160D+01     -0.590013D+00     -0.656478D+00
   zz         0.980025D+02      0.145225D+02      0.161584D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.130555D+03      0.193463D+02      0.215256D+02
   aniso      0.631058D+02      0.935131D+01      0.104047D+02
   xx         0.169697D+03      0.251465D+02      0.279792D+02
   yx        -0.573224D+01     -0.849431D+00     -0.945119D+00
   yy         0.119124D+03      0.176524D+02      0.196409D+02
   zx         0.780514D+01      0.115660D+01      0.128689D+01
   zy        -0.428388D+01     -0.634805D+00     -0.706316D+00
   zz         0.102844D+03      0.152399D+02      0.169567D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -2.06667301         -2.48974307          3.06040627
     6         -1.85502832          0.36453596          3.27954930
     6          0.30716853          1.73647588          1.70476399
     6          1.51936924          0.12999996         -0.25463645
     6          1.19001027          0.24521628         -2.75292087
     6          2.40750353         -1.44849845         -4.60593350
     8          1.96336560         -1.19610768         -6.84837253
     6         -1.76216538          1.17117838          6.04229431
     6         -3.80812930          1.92325358          1.73934810
     6         -1.67651150          3.70313849          0.84555525
     6          4.19227983         -3.49115380         -3.68907696
     1         -5.35530493          2.76204018          2.81087152
     1         -4.59984821          0.82766172          0.18432697
     1          1.79612826          2.48223289          2.92913049
     1         -1.67702146          4.23438129         -1.13979013
     1         -1.56153376          5.42664683          1.96392515
     1         -0.48951784         -3.44176277          3.99555626
     1         -2.11024358         -3.10015099          1.09249783
     1         -3.80812153         -3.13743886          3.96240848
     1         -3.45985660          0.54634865          7.03802592
     1         -1.63823526          3.22196652          6.23118526
     1         -0.12582657          0.34625302          6.99477331
     1          2.77774484         -1.30813145          0.49486665
     1         -0.04473129          1.63721051         -3.60562643
     1          5.77749407         -2.67329479         -2.65183902
     1          4.90098797         -4.52768878         -5.31481325
     1          3.22401474         -4.79384777         -2.41461386

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.163722D+01      0.416139D+01      0.138809D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.163722D+01      0.416139D+01      0.138809D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.122679D+03      0.181792D+02      0.202271D+02
   aniso      0.542071D+02      0.803267D+01      0.893755D+01
   xx         0.108239D+03      0.160394D+02      0.178462D+02
   yx        -0.118505D+02     -0.175606D+01     -0.195388D+01
   yy         0.110524D+03      0.163779D+02      0.182229D+02
   zx        -0.155677D+02     -0.230689D+01     -0.256676D+01
   zy         0.805398D+01      0.119348D+01      0.132792D+01
   zz         0.149276D+03      0.221204D+02      0.246122D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.130555D+03      0.193463D+02      0.215256D+02
   aniso      0.631058D+02      0.935131D+01      0.104047D+02
   xx         0.113890D+03      0.168767D+02      0.187778D+02
   yx        -0.127178D+02     -0.188459D+01     -0.209689D+01
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 NO MATTER HOW THIN YOU SLICE IT, IT'S STILL BALONEY

                                   -- ALFRED E. SMITH
 Job cpu time:       0 days  3 hours 14 minutes 19.4 seconds.
 Elapsed time:       0 days  0 hours 24 minutes 23.2 seconds.
 File lengths (MBytes):  RWF=    397 Int=      0 D2E=      0 Chk=     15 Scr=      2
 Normal termination of Gaussian 16 at Thu Aug 12 21:05:05 2021.
